Page last updated: 2024-10-24

perinuclear region of cytoplasm

Definition

Target type: cellularcomponent

Cytoplasm situated near, or occurring around, the nucleus. [GOC:jid]

The perinuclear region of the cytoplasm is a distinct area surrounding the nucleus. It is characterized by a unique composition of cellular components and is involved in a variety of cellular processes.

**Components:**

* **Nuclear envelope:** The outer boundary of the nucleus, composed of two lipid bilayers separated by the perinuclear space. It is studded with nuclear pore complexes (NPCs), which act as gateways for the transport of molecules between the nucleus and cytoplasm.
* **Nuclear lamina:** A fibrous network of proteins that lines the inner nuclear membrane, providing structural support to the nucleus and playing a role in regulating gene expression.
* **Chromatin:** The genetic material of the cell, consisting of DNA and associated proteins. In the perinuclear region, chromatin is often more condensed than in other regions of the cytoplasm, reflecting its active role in transcription and replication.
* **Ribosomes:** The protein synthesis machinery of the cell. Some ribosomes are located in the perinuclear region, where they are involved in the translation of mRNAs that are transcribed from genes located near the nuclear envelope.
* **Endoplasmic reticulum (ER):** A network of interconnected membranes that extend throughout the cytoplasm. In the perinuclear region, the ER is often associated with the nuclear envelope and may play a role in the regulation of nuclear function.
* **Golgi apparatus:** A stack of flattened membrane-bound sacs involved in the processing and packaging of proteins and lipids. The Golgi apparatus is often located near the nucleus and is involved in the transport of these molecules to other cellular compartments.
* **Microtubules:** Filamentous structures that provide structural support and act as tracks for the transport of organelles and vesicles throughout the cytoplasm. Microtubules in the perinuclear region are often involved in the positioning of the nucleus within the cell.
* **Intermediate filaments:** Rope-like protein structures that provide mechanical strength to the cell. In the perinuclear region, intermediate filaments can form a network that connects the nucleus to the cytoskeleton.
* **Motor proteins:** Proteins that bind to and move along microtubules or intermediate filaments, transporting organelles and vesicles throughout the cytoplasm.

**Functions:**

The perinuclear region of the cytoplasm plays a key role in a variety of cellular processes, including:

* **Nuclear transport:** The perinuclear region is the site of transport of molecules between the nucleus and cytoplasm through the nuclear pore complexes.
* **Gene expression:** The perinuclear region is rich in chromatin and ribosomes, which are essential for the transcription and translation of genes.
* **Signal transduction:** The perinuclear region is a hub for signaling pathways, which transmit information from the cell's environment to the nucleus.
* **Cellular organization:** The perinuclear region plays a role in the organization of the cytoskeleton and the positioning of the nucleus within the cell.

The specific composition and function of the perinuclear region can vary depending on the cell type and its stage of development.'
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Proteins (191)

ProteinDefinitionTaxonomy
Tubulin polymerization-promoting proteinA tubulin polymerization-promoting protein that is encoded in the genome of cow. [OMA:Q27957, PRO:DNx]Bos taurus (cattle)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformA phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform that is encoded in the genome of cow. [OMA:P32871, PRO:DNx]Bos taurus (cattle)
Tyrosine 3-monooxygenaseA tyrosine 3-monooxygenase that is encoded in the genome of cow. [OMA:P17289, PRO:DNx]Bos taurus (cattle)
cGMP-dependent 3',5'-cyclic phosphodiesterase[no definition available]Bos taurus (cattle)
Protein kinase C alpha typeA protein kinase C alpha type that is encoded in the genome of cow. [OMA:P04409, PRO:DNx]Bos taurus (cattle)
cAMP-dependent protein kinase catalytic subunit alphaA cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of cow. [OMA:P00517, PRO:DNx]Bos taurus (cattle)
Proto-oncogene tyrosine-protein kinase SrcA proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of chicken. [OMA:P00523, PRO:DNx]Gallus gallus (chicken)
EndoplasminAn endoplasmin that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4CA 3,5-cyclic-AMP phosphodiesterase 4C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08493]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4BA 3,5-cyclic-AMP phosphodiesterase 4B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07343]Homo sapiens (human)
Solute carrier family 2, facilitated glucose transporter member 4A solute carrier family 2, facilitated glucose transporter member 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14672]Homo sapiens (human)
cGMP-dependent 3',5'-cyclic phosphodiesteraseA cGMP-dependent 3,5-cyclic phosphodiesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00408]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4DA 3,5-cyclic-AMP phosphodiesterase 4D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q08499]Homo sapiens (human)
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7AA high affinity 3,5-cyclic-AMP phosphodiesterase 7A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13946]Homo sapiens (human)
Protein S100-A4A protein S100-A4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26447]Homo sapiens (human)
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8BA high affinity cAMP-specific and IBMX-insensitive 3,5-cyclic phosphodiesterase 8B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95263]Homo sapiens (human)
Synaptojanin-1A synaptojanin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43426]Homo sapiens (human)
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8AA high affinity cAMP-specific and IBMX-insensitive 3,5-cyclic phosphodiesterase 8A that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60658]Homo sapiens (human)
Putative heat shock protein HSP 90-beta 2A putative heat shock protein HSP 90-beta 2 that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4AA 3,5-cyclic-AMP phosphodiesterase 4A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27815]Homo sapiens (human)
Serine/threonine-protein kinase tousled-like 2A serine/threonine-protein kinase tousled-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UE8]Homo sapiens (human)
Heat shock protein HSP 90-alphaA heat shock protein HSP 90-alpha that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Synaptojanin-2A synaptojanin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15056]Homo sapiens (human)
Putative heat shock protein HSP 90-alpha A4[no definition available]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 7BA 3,5-cyclic-AMP phosphodiesterase 7B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NP56]Homo sapiens (human)
Heat shock protein HSP 90-betaA heat shock protein HSP 90-beta that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Mitogen-activated protein kinase kinase kinase 4A mitogen-activated protein kinase kinase kinase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y6R4]Homo sapiens (human)
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4A potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9Y3Q4]Homo sapiens (human)
Tyrosine-protein phosphatase non-receptor type 22A tyrosine-protein phosphatase non-receptor type 22 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2R2]Homo sapiens (human)
1-phosphatidylinositol 3-phosphate 5-kinaseA 1-phosphatidylinositol 3-phosphate 5-kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2I7]Homo sapiens (human)
Potassium voltage-gated channel subfamily S member 2A voltage-gated potassium channel KCNS2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9ULS6]Homo sapiens (human)
Leucyl-cystinyl aminopeptidaseA leucyl-cystinyl aminopeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UIQ6]Homo sapiens (human)
Septin-9A septin-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UHD8]Homo sapiens (human)
Acid-sensing ion channel 3An acid-sensing ion channel 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UHC3]Homo sapiens (human)
Mucosa-associated lymphoid tissue lymphoma translocation protein 1A mucosa-associated lymphoid tissue lymphoma translocation protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UDY8]Homo sapiens (human)
Histone deacetylase 6A histone deacetylase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBN7]Homo sapiens (human)
Phosphatidylinositol 4-kinase betaA phosphatidylinositol 4-kinase beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBF8]Homo sapiens (human)
Serine/threonine-protein kinase 26A serine/threonine-protein kinase 26 that is encoded in the genome of human. [PRO:WCB]Homo sapiens (human)
Eukaryotic translation initiation factor 2-alpha kinase 3A eukaryotic translation initiation factor 2-alpha kinase 3 that is encoded in the genome of human. [PRO:CNx, UniProtKB:Q9NZJ5]Homo sapiens (human)
Hypoxia-inducible factor 1-alpha inhibitorA hypoxia-inducible factor 1-alpha inhibitor that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NWT6]Homo sapiens (human)
NADPH oxidase 4An NADPH oxidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9NPH5]Homo sapiens (human)
Short transient receptor potential channel 7A short transient receptor potential cation channel TRPC7 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9HCX4]Homo sapiens (human)
Prostaglandin E synthase 2A prostaglandin E synthase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H7Z7]Homo sapiens (human)
Poly [ADP-ribose] polymerase tankyrase-2A poly [ADP-ribose] polymerase tankyrase-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2K2]Homo sapiens (human)
STE20-like serine/threonine-protein kinase A STE20-like serine/threonine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2G2]Homo sapiens (human)
Nucleolar GTP-binding protein 1A GTP-binding protein 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BZE4]Homo sapiens (human)
Serine/threonine-protein kinase 33A serine/threonine-protein kinase 33 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BYT3]Homo sapiens (human)
UDP-glucuronosyltransferase 2B28A UDP-glucuronosyltransferase 2B28 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BY64]Homo sapiens (human)
Cyclin-dependent kinase 19A cyclin-dependent kinase 19 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BWU1]Homo sapiens (human)
Ataxin-2An ataxin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99700]Homo sapiens (human)
Translin-associated protein XA translin-associated protein X that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99598]Homo sapiens (human)
P2X purinoceptor 4A P2X purinoceptor 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99571]Homo sapiens (human)
G-protein coupled estrogen receptor 1A G-protein coupled estrogen receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q99527]Homo sapiens (human)
SortilinA sortilin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99523]Homo sapiens (human)
Protein cereblonA protein cereblon that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96SW2]Homo sapiens (human)
Kinesin-like protein KIF20BA kinesin-like protein KIF20B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96Q89]Homo sapiens (human)
Adenylate cyclase type 10An adenylate cyclase type 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96PN6]Homo sapiens (human)
Diacylglycerol O-acyltransferase 2A diacylglycerol O-acyltransferase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96PD7]Homo sapiens (human)
Potassium voltage-gated channel subfamily S member 1A voltage-gated potassium channel KCNS1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q96KK3]Homo sapiens (human)
Histone acetyltransferase KAT5A histone acetyltransferase KAT5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92993]Homo sapiens (human)
COP9 signalosome complex subunit 5A COP9 signalosome complex subunit 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92905]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 6A polypeptide N-acetylgalactosaminyltransferase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NCL4]Homo sapiens (human)
Proprotein convertase subtilisin/kexin type 9A proprotein convertase subtilisin/kexin type 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NBP7]Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-2An NAD-dependent protein deacetylase sirtuin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IXJ6]Homo sapiens (human)
Serine/threonine-protein kinase BRSK2A serine/threonine-protein kinase BRSK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IWQ3]Homo sapiens (human)
Ras guanyl-releasing protein 3A Ras guanyl-releasing protein 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IV61]Homo sapiens (human)
Stimulator of interferon genes proteinA transmembrane protein 173 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86WV6]Homo sapiens (human)
Serine/threonine-protein kinase tousled-like 2A serine/threonine-protein kinase tousled-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UE8]Homo sapiens (human)
Serine/threonine-protein kinase TAO1A serine/threonine-protein kinase TAO1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7L7X3]Homo sapiens (human)
Serine/threonine-protein kinase N3A serine/threonine-protein kinase N3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6P5Z2]Homo sapiens (human)
Tau-tubulin kinase 1A tau-tubulin kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5TCY1]Homo sapiens (human)
BDNF/NT-3 growth factors receptorA BDNF/NT-3 growth factors receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16620]Homo sapiens (human)
Serine/threonine-protein kinase N2A serine/threonine-protein kinase N2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16513]Homo sapiens (human)
RISC-loading complex subunit TARBP2A RISC-loading complex subunit TARBP2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15633]Homo sapiens (human)
Dual specificity testis-specific protein kinase 1A dual specificity testis-specific protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15569]Homo sapiens (human)
Serine/threonine-protein kinase D1A serine/threonine-protein kinase D1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15139]Homo sapiens (human)
Cyclin-dependent kinase 5 activator 1A cyclin-dependent kinase 5 activator 1 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Potassium voltage-gated channel subfamily B member 1A voltage-gated potassium channel KCNB1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q14721]Homo sapiens (human)
Inositol 1,4,5-trisphosphate receptor type 1An inositol 1,4,5-trisphosphate receptor type 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14643]Homo sapiens (human)
Sodium channel protein type 5 subunit alphaA sodium channel protein type 5 subunit alpha that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q14524]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 3A polypeptide N-acetylgalactosaminyltransferase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14435]Homo sapiens (human)
Protein-tyrosine kinase 2-betaA focal adhesion kinase 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q14289]Homo sapiens (human)
Eukaryotic initiation factor 4A-IIA eukaryotic initiation factor 4A-II that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Phospholipase D1A phospholipase D1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13393]Homo sapiens (human)
Serine/threonine-protein kinase PAK 2A serine/threonine-protein kinase PAK 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13177]Homo sapiens (human)
Nucleosome-remodeling factor subunit BPTFA nucleosome-remodeling factor subunit BPTF that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12830]Homo sapiens (human)
Potassium voltage-gated channel subfamily H member 2A voltage-gated potassium channel KCNH2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q12809]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 1A polypeptide N-acetylgalactosaminyltransferase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q10472]Homo sapiens (human)
Polypeptide N-acetylgalactosaminyltransferase 2A polypeptide N-acetylgalactosaminyltransferase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q10471]Homo sapiens (human)
Activated CDC42 kinase 1An activated CDC42 kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07912]Homo sapiens (human)
DNA repair protein RAD51 homolog 1A DNA repair protein RAD51 homolog 1 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Tyrosine-protein kinase BTKA tyrosine-protein kinase BTK that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q06187]Homo sapiens (human)
Protein kinase C delta typeA protein kinase C delta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q05655]Homo sapiens (human)
Protein kinase C zeta typeA protein kinase C zeta type that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05513]Homo sapiens (human)
Focal adhesion kinase 1A focal adhesion kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q05397]Homo sapiens (human)
Peptidyl-prolyl cis-trans isomerase FKBP4A peptidyl-prolyl cis-trans isomerase FKBP4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q02790]Homo sapiens (human)
Protein kinase C epsilon typeA protein kinase C epsilon that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q02156]Homo sapiens (human)
Heat shock factor protein 1A heat shock factor protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q00613]Homo sapiens (human)
40S ribosomal protein S6A small ribosomal subunit protein eS6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P62753]Homo sapiens (human)
Ras-related protein Rab-10A Ras-related protein Rab-10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P61026]Homo sapiens (human)
Transitional endoplasmic reticulum ATPaseA transitional endoplasmic reticulum ATPase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P55072]Homo sapiens (human)
Ephrin type-A receptor 5An ephrin type-A receptor 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54756]Homo sapiens (human)
LIM domain kinase 2A LIM domain kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53671]Homo sapiens (human)
Cyclin-dependent kinase 7A cyclin-dependent kinase 7 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Casein kinase I isoform deltaA casein kinase I isoform delta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48730]Homo sapiens (human)
Excitatory amino acid transporter 1An excitatory amino acid transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43003]Homo sapiens (human)
Endothelin-converting enzyme 1An endothelin-converting enzyme 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42892]Homo sapiens (human)
HuntingtinA huntingtin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42858]Homo sapiens (human)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformA phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42336]Homo sapiens (human)
Signal transducer and activator of transcription 1-alpha/betaA signal transducer and activator of transcription 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P42224]Homo sapiens (human)
C-C chemokine receptor type 2A C-C chemokine receptor type 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P41597]Homo sapiens (human)
Alpha-synucleinAn alpha-synuclein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P37840]Homo sapiens (human)
Dual specificity mitogen-activated protein kinase kinase 2A dual specificity mitogen-activated protein kinase kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36507]Homo sapiens (human)
Nitric oxide synthase, inducibleA nitric oxide synthase, inducible that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35228]Homo sapiens (human)
Catenin beta-1A catenin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35222]Homo sapiens (human)
Kinesin-1 heavy chainA kinesin-1 heavy chain that is encoded in the genome of human. [PRO:DNx, UniProtKB:P33176]Homo sapiens (human)
14-3-3 protein beta/alphaA 14-3-3 protein beta/alpha that is encoded in the genome of human. [PRO:WCB, UniProtKB:P31946]Homo sapiens (human)
DnaJ homolog subfamily A member 1A DnaJ homolog subfamily A member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31689]Homo sapiens (human)
Vasopressin V2 receptorA vasopressin V2 receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P30518]Homo sapiens (human)
M-phase inducer phosphatase 3An M-phase inducer phosphatase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30307]Homo sapiens (human)
Nitric oxide synthase, brainA nitric oxide synthase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29475]Homo sapiens (human)
Gap junction beta-2 proteinA gap junction beta-2 protein that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Receptor-type tyrosine-protein phosphatase muA receptor-type tyrosine-protein phosphatase mu that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28827]Homo sapiens (human)
Phosphatidylinositol 3-kinase regulatory subunit alphaA phosphatidylinositol 3-kinase regulatory subunit alpha that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4AA 3,5-cyclic-AMP phosphodiesterase 4A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27815]Homo sapiens (human)
DNA-(apurinic or apyrimidinic site) endonucleaseA DNA-(apurinic or apyrimidinic site) endonuclease that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27695]Homo sapiens (human)
Protein S100-A4A protein S100-A4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26447]Homo sapiens (human)
Integrin alpha-3An integrin alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26006]Homo sapiens (human)
Adenomatous polyposis coli proteinAn adenomatous polyposis coli protein that is encoded in the genome of human. [PMID:11283619, PMID:20823832, PRO:KER]Homo sapiens (human)
Ribosomal protein S6 kinase beta-1A ribosomal protein S6 kinase beta-1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P23443]Homo sapiens (human)
Peptidyl-prolyl cis-trans isomerase BA eukaryotic peptidyl-prolyl cis-trans isomerase B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23284]Homo sapiens (human)
Carbonic anhydrase 4A carbonic anhydrase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22748]Homo sapiens (human)
Potassium voltage-gated channel subfamily A member 5A voltage-gated potassium channel subunit KCNA5 that is encoded in the genome of human. []Homo sapiens (human)
Nucleoside diphosphate kinase BA nucleoside diphosphate kinase B that is encoded in the genome of human. [PRO:DAN, UniProtKB:P22392]Homo sapiens (human)
UDP-glucuronosyltransferase 1A1 A UDP-glucuronosyltransferase 1A1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22309]Homo sapiens (human)
AcetylcholinesteraseAn acetylcholinesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22303]Homo sapiens (human)
Protein-glutamine gamma-glutamyltransferase 2A protein-glutamine gamma-glutamyltransferase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21980]Homo sapiens (human)
Sodium/hydrogen exchanger 1A sodium/hydrogen exchanger 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19634]Homo sapiens (human)
Interferon-induced, double-stranded RNA-activated protein kinaseAn interferon-induced, double-stranded RNA-activated protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19525]Homo sapiens (human)
3-oxo-5-alpha-steroid 4-dehydrogenase 1A 3-oxo-5-alpha-steroid 4-dehydrogenase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P18405]Homo sapiens (human)
cAMP-dependent protein kinase catalytic subunit alphaA cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17612]Homo sapiens (human)
Integrin alpha-2An integrin alpha-2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P17301]Homo sapiens (human)
Protein kinase C alpha typeA protein kinase C alpha type that is encoded in the genome of human. [PRO:CL, UniProtKB:P17252]Homo sapiens (human)
E-selectinAn E-selectin that is encoded in the genome of human. [PRO:WCB, UniProtKB:P16581]Homo sapiens (human)
Beta-galactosidaseA eukaryotic-type beta-galactosidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16278]Homo sapiens (human)
EzrinAn ezrin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P15311]Homo sapiens (human)
TyrosinaseA tyrosinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14679]Homo sapiens (human)
Solute carrier family 2, facilitated glucose transporter member 4A solute carrier family 2, facilitated glucose transporter member 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14672]Homo sapiens (human)
EndoplasminAn endoplasmin that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Phospholipase A2, membrane associatedA phospholipase A2, membrane associated that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14555]Homo sapiens (human)
Sodium/glucose cotransporter 1A sodium/glucose cotransporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13866]Homo sapiens (human)
Proto-oncogene tyrosine-protein kinase SrcA proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of human. [PRO:CNA, UniProtKB:P12931]Homo sapiens (human)
Cadherin-1A cadherin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P12830]Homo sapiens (human)
Heat shock cognate 71 kDa proteinA heat shock cognate 71 kDa protein that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Retinoic acid receptor alphaA retinoic acid receptor alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10276]Homo sapiens (human)
Heat shock 70 kDa protein 1A A heat shock 70 kDa protein 1A that is encoded in the genome of human. [PRO:DAN, UniProtKB:P0DMV8]Homo sapiens (human)
Polyunsaturated fatty acid 5-lipoxygenaseA polyunsaturated fatty acid 5-lipoxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09917]Homo sapiens (human)
Heat shock protein HSP 90-betaA heat shock protein HSP 90-beta that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Tyrosine-protein kinase LynA tyrosine-protein kinase Lyn that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07948]Homo sapiens (human)
Heat shock protein HSP 90-alphaA heat shock protein HSP 90-alpha that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Cathepsin BA cathepsin B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07858]Homo sapiens (human)
Tyrosine 3-monooxygenaseA tyrosine 3-monooxygenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07101]Homo sapiens (human)
Eukaryotic translation initiation factor 4EA eukaryotic translation initiation factor 4E that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06730]Homo sapiens (human)
Tyrosine-protein kinase FynA tyrosine-protein kinase Fyn that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06241]Homo sapiens (human)
Integrin beta-1An integrin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05556]Homo sapiens (human)
Protein kinase C gamma typeA protein kinase C gamma type that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05129]Homo sapiens (human)
Amyloid-beta precursor proteinAn amyloid-beta precursor protein that is encoded in the genome of human. [PRO:DAN]Homo sapiens (human)
Receptor tyrosine-protein kinase erbB-2A receptor tyrosine-protein kinase erbB-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P04626]Homo sapiens (human)
Glyceraldehyde-3-phosphate dehydrogenaseA glyceraldehyde-3-phosphate dehydrogenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04406]Homo sapiens (human)
Protein S100-BA protein S100-B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04271]Homo sapiens (human)
GTPase HRasA GTPase HRas that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01112]Homo sapiens (human)
Epidermal growth factor receptorAn epidermal growth factor receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00533]Homo sapiens (human)
Tyrosine-protein kinase ABL1A tyrosine-protein kinase ABL1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00519]Homo sapiens (human)
Geranylgeranyl pyrophosphate synthaseA geranylgeranyl pyrophosphate synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95749]Homo sapiens (human)
Lecithin retinol acyltransferaseA lecithin retinol acyltransferase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95237]Homo sapiens (human)
Tubulin polymerization-promoting proteinA tubulin polymerization-promoting protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94811]Homo sapiens (human)
Retinal dehydrogenase 2A retinal dehydrogenase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94788]Homo sapiens (human)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9AA high affinity cGMP-specific 3,5-cyclic phosphodiesterase 9A that is encoded in the genome of human. [PRO:DNx, UniProtKB:O76083]Homo sapiens (human)
Cyclin-dependent kinase-like 5A cyclin-dependent kinase-like 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O76039]Homo sapiens (human)
Serine/threonine-protein kinase 16A serine/threonine-protein kinase 16 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75716]Homo sapiens (human)
Ubiquitin carboxyl-terminal hydrolase 2A ubiquitin carboxyl-terminal hydrolase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75604]Homo sapiens (human)
Cyclin-T2A cyclin-T2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60583]Homo sapiens (human)
Synaptojanin-1A synaptojanin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43426]Homo sapiens (human)
Period circadian protein homolog 2A period circadian protein homolog 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15055]Homo sapiens (human)
Cyclin-G-associated kinaseA cyclin-G-associated kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14976]Homo sapiens (human)
Aurora kinase AAn aurora kinase A that is encoded in the genome of human. [PRO:KER]Homo sapiens (human)
Na(+)/H(+) exchange regulatory cofactor NHE-RF1A Na(+)/H(+) exchange regulatory cofactor NHE-RF1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O14745]Homo sapiens (human)
Prostaglandin E synthaseA prostaglandin E synthase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14684]Homo sapiens (human)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3An ectonucleotide pyrophosphatase/phosphodiesterase family member 3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14638]Homo sapiens (human)
cGMP-dependent 3',5'-cyclic phosphodiesteraseA cGMP-dependent 3,5-cyclic phosphodiesterase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00408]Homo sapiens (human)
Toll-like receptor 4A Toll-like receptor 4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O00206]Homo sapiens (human)

Compounds (3,992)

CompoundDefinitionClassesRoles
dinitrochlorobenzene1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.

Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.
C-nitro compound;
monochlorobenzenes
allergen;
epitope;
sensitiser
9-ethyladenine
alpha-ketoglutaric acid2-oxoglutaric acid : An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle.oxo dicarboxylic acidfundamental metabolite
protocatechuic acid3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.

protocatechuic acid: RN given refers to parent cpd; structure
catechols;
dihydroxybenzoic acid
antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite
gamma-aminobutyric acidgamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.

gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxybenzoic acid4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.monohydroxybenzoic acidalgal metabolite;
plant metabolite
acetic acidacetic acid : A simple monocarboxylic acid containing two carbons.

Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed)
monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetaldehydeacetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.

Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.

acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.

aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.
aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allantoinimidazolidine-2,4-dione;
ureas
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
quinacrinequinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.

Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzaldehydebenzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzoic acidaromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.

benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.

Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.
benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
bromideBromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)halide anion;
monoatomic bromine
hydrobromic acidHydrobromic Acid: Hydrobromic acid (HBr). A solution of hydrogen bromide gas in water.

hydrobromide : Salts formally resulting from the reaction of hydrobromic acid with an organic base.

hydrogen bromide : A diatomic molecule containing covalently bonded hydrogen and bromine atoms.
gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite
butyric acidbutyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.

butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.

Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.
fatty acid 4:0;
straight-chain saturated fatty acid
human urinary metabolite;
Mycoplasma genitalium metabolite
cadaverinealkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
carbamic acidcarbamic acid : A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.carbon oxoacid;
one-carbon compound;
organonitrogen compound
Escherichia coli metabolite
carbamyl phosphateCarbamyl Phosphate: The monoanhydride of carbamic acid with PHOSPHORIC ACID. It is an important intermediate metabolite and is synthesized enzymatically by CARBAMYL-PHOSPHATE SYNTHASE (AMMONIA) and CARBAMOYL-PHOSPHATE SYNTHASE (GLUTAMINE-HYDROLYZING).acyl monophosphate;
one-carbon compound
Escherichia coli metabolite;
mouse metabolite
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
chlordeconecyclic ketone;
organochlorine compound
insecticide;
persistent organic pollutant
cholinecholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
citric acid, anhydrouscitric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.

Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.
tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
chlorinechloride : A halide anion formed when chlorine picks up an electron to form an an anion.halide anion;
monoatomic chlorine
cofactor;
Escherichia coli metabolite;
human metabolite
hydrochloric acidHydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.

hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.
chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite
coumarin2H-chromen-2-one: coumarin derivativecoumarinsfluorescent dye;
human metabolite;
plant metabolite
cuminaldehydecuminaldehyde : A member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities.benzaldehydesinsecticide;
plant metabolite;
volatile oil component
salicylic acidScalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
3-cresol3-cresol: RN given refers to parent cpd

m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.
cresolhuman xenobiotic metabolite
gallic acidgallate : A trihydroxybenzoate that is the conjugate base of gallic acid.trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
4-nitrophenylphosphate4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.

nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid
aryl phosphatemouse metabolite
hydrogen sulfidehydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.

Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed)

thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.
gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride
Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
4-aminophenol4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.

4-aminophenol: RN given refers to parent cpd
aminophenolallergen;
metabolite
bupropionbupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.

Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE.
aromatic ketone;
monochlorobenzenes;
secondary amino compound
antidepressant;
environmental contaminant;
xenobiotic
guaiacolguaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.

Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747)

methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.
guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
[3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammoniumacylcholine
cyanic acidone-carbon compound;
pseudohalogen oxoacid
diacetylbutane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
dimethyl sulfoxidedimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.

Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.
sulfoxide;
volatile organic compound
alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
carbonic acidCarbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed)carbon oxoacid;
chalcocarbonic acid
mouse metabolite
hydrogen cyanidehydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom

Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.
hydracid;
one-carbon compound
Escherichia coli metabolite;
human metabolite;
poison
hydrogen carbonateBicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.

hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.
carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
thiocyanic acidthiocyanic acid : A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom.hydracid;
one-carbon compound;
organosulfur compound
Escherichia coli metabolite
hydroquinonebenzenediol;
hydroquinones
antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
imidazole1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.

imidazole: RN given refers to parent cpd
imidazole
indoleindole;
polycyclic heteroarene
Escherichia coli metabolite
dihydroxyphenylalanineDihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.

dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.
hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative
human metabolite
thioctic acidThioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.dithiolanes;
heterocyclic fatty acid;
thia fatty acid
fundamental metabolite;
geroprotector
malonic aciddicarboxylic acid : Any carboxylic acid containing two carboxy groups.

malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
alpha,omega-dicarboxylic acidhuman metabolite
inositol1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.

inositol : Any cyclohexane-1,2,3,4,5,6-hexol.

Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.

muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.
cyclitol;
hexol
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
naringenin4'-hydroxyflavanones;
trihydroxyflavanone
niacinamidenicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.pyridine alkaloid;
pyridinecarboxamide;
vitamin B3
anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacinNiacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.

nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.

vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3
antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
3-(1-methylpyrrolidin-2-yl)pyridine3-(1-methylpyrrolidin-2-yl)pyridine : An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2.N-alkylpyrrolidine;
pyridine alkaloid;
pyrrolidine alkaloid
nitratesNitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
nitric acidnitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.

Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed)
nitrogen oxoacidprotic solvent;
reagent
nitritesNitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
human metabolite
oxalic acidoxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.

Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.
alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
pentachlorophenolPENTA: structure given in first sourcearomatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes
human xenobiotic metabolite
phenylalaninealpha-amino acid;
aromatic amino acid
Daphnia magna metabolite
phenolphenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
phosphoric acidphosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.

phosphoric acid: concise etchant is 37% H3PO4
phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
pyrogallolbenzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.benzenetriol;
phenolic donor
plant metabolite
selenious acidSelenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION.selenium oxoacid
sulfurous acidsulfur oxoacid
spermidinepolyazaalkane;
triamine
autophagy inducer;
fundamental metabolite;
geroprotector
sperminepolyazaalkane;
tetramine
antioxidant;
fundamental metabolite;
immunosuppressive agent
sulfuric acidsulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.sulfur oxoacidcatalyst
toluenemethylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.methylbenzene;
toluenes;
volatile organic compound
cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
uracil2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorderpyrimidine nucleobase;
pyrimidone
allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
xanthine7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.

9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.
xanthineSaccharomyces cerevisiae metabolite
catechinhydroxyflavan
sk&f 81297benzazepine
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acidalpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies.non-proteinogenic alpha-amino acid
sk&f 82958benzazepine
4-iodo-2,5-dimethoxyphenylisopropylamine2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine : An organoiodine compound that is amphetamine bearing two methoxy substituents at positions 2 and 5 as well as an iodo substituent at position 4.

4-iodo-2,5-dimethoxyphenylisopropylamine: RN given refers to unlabeled parent cpd without isomeric designation; a serotonin agonist
amphetamines;
dimethoxybenzene;
organoiodine compound
gallopamilGallopamil: Coronary vasodilator that is an analog of iproveratril (VERAPAMIL) with one more methoxy group on the benzene ring.benzenes;
organic amino compound
octoclothepineoctoclothepine: major tranquilizer with action similar to those of the phenothiazines; used in schizophrenic & manic psychoses; minor decriptor (77-86); on-line & INDEX MEDICUS search DIBENZOTHIEPINS (77-86); RN given refers to parent cpd without isomeric designationdibenzothiepine
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin2-(N-phenethyl-N-propyl)amino-5-hydroxytetralin: potent, specific D2 dopamine receptor agonist; RN given refers to parent cpdtetralins
sk&f 77434N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.

SK&F 77434: a dopamine D1 receptor partial agonist
benzazepine;
catechols;
tertiary amino compound
dopamine agonist
huperzine ahuperzine A : A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease.

huperzine A: RN given refers to 5R-(5alpha,9beta,11E)-isomer; structure given in first source
quinolone
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoatecatechin
2-(6-methoxy-2-naphthalenyl)propanoic acidnaphthalenes
1,10-phenanthroline1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinasesphenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
s,s'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothioureaS,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea: structure in first source
bw 284 c 51
1-(1-naphthyl)piperazine1-(1-naphthyl)piperazine: serotonin agonist; structure given in first sourceN-arylpiperazine
my 5445MY 5445: potential platelet aggregation inhibitorpyridazines;
ring assembly
edelfosine1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.

edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine.

edelfosine: RN given refers to parent cpd
glycerophosphocholine
pd 173074aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
n-(3-(aminomethyl)benzyl)acetamidineN-(3-(aminomethyl)benzyl)acetamidine: structure in first source

N-[3-(aminomethyl)benzyl]acetamidine : An aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase.
aralkylamine;
carboxamidine;
primary amino compound
angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector
4-(2,4-dichlorophenoxy)butyric acid2,4-DB : A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide.

4-(2,4-dichlorophenoxy)butyric acid: structure
aromatic ether;
monocarboxylic acid;
organochlorine compound
agrochemical;
phenoxy herbicide;
synthetic auxin
2,4-dinitrophenol2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.

2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)

dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.
dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
2-amino-4-picoline2-amino-4-picoline: RN given refers to parent cpd
2-aminofluorene
2-cyclooctyl-2-hydroxyethylamine2-cyclooctyl-2-hydroxyethylamine: RN given refers to parent cpd
3,4-dichloroisocoumarin3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor.isocoumarins;
organochlorine compound
geroprotector;
serine protease inhibitor
tramiprosate3-aminopropanesulfonic acid : An amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid.

tramiprosate: GABA receptor agonist and a glycosaminoglycan mimetic; has nootropic acitivity; structure; a sulfonate analog of GABA
amino sulfonic acid;
zwitterion
algal metabolite;
anti-inflammatory agent;
anticonvulsant;
GABA agonist;
nootropic agent
3-bromo-7-nitroindazole
3-methylcholanthrene3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.

Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.
ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
mdl 72222benzoate ester
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octanediarylmethane
ro 5-48644'-chlorodiazepam: selectively binds peripheral benzodiazepine receptor
4,5,6,7-tetrabromo-2-azabenzimidazole4,5,6,7-tetrabromobenzotriazole: a CK2 kinase inhibitor
cgp 524114,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups.

4,5-dianilinophthalimide: structure given in first source
phthalimidesgeroprotector;
tyrosine kinase inhibitor
4-aminopyridineaminopyridine;
aromatic amine
avicide;
orphan drug;
potassium channel blocker
p-chloromercuribenzoic acidp-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent.chlorine molecular entity;
mercuribenzoic acid
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
5-dimethylamiloride5-dimethylamiloride: has anti-HIV-1 activity
5-(n,n-hexamethylene)amiloride5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.

5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines
antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
ethylisopropylamilorideethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group.

ethylisopropylamiloride: structure in first source
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound
anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
6,7-dichloroquinoxaline-2,3-dionequinoxaline derivative
phenanthridonephenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.

phenanthridone: coal tar derivative; structure given in first source
lactam;
phenanthridines
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen
6-chloromelatoninacetamides
6-methoxytryptoline6-methoxytryptoline: RN given refers to parent cpd; structure
6-nitroso-1,2-benzopyrone
7,8-dihydroxyflavone7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's.dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
7-nitroindazole7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure
8-cyclopentyl-1,3-dimethylxanthine8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in ratsoxopurine
oxyquinolineOxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.

quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.
monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
tacrinetacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.

Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.
acridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor
N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
aa 8612,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone: structure given in first source

docebenone : A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group.
1,4-benzoquinones;
acetylenic compound;
primary alcohol
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
abt 702bipyridines
acetaminophenAcetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.

paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.
acetamides;
phenols
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
acetazolamideAcetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)monocarboxylic acid amide;
sulfonamide;
thiadiazoles
anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetochloracetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively.aromatic amide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
ethacridineEthacridine: A topically applied anti-infective agent.acridines
beta-aminoethyl isothioureabeta-Aminoethyl Isothiourea: A radiation-protective agent that can inhibit DNA damage by binding to the DNA. It also increases the susceptibility of blood cells to complement-mediated lysis.
ag 127tyrphostin AG 126: inhibits development of postoperative ileus induced by surgical manipulation of murine colonnitrophenol
ag 1295quinoxaline derivativegeroprotector
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
tyrphostin a23tyrphostin A23: inhibits EGF-stimulated thymidine incorporation as well as EGF-stimulated receptor autophosphorylation & tyrosine phosphorylation & cell proliferation; structure given in first sourcecatechols
tyrphostin 25benzenetriol
tyrphostin a1methoxybenzenesgeroprotector
albendazolearyl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
alendronatealendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.1,1-bis(phosphonic acid);
primary amino compound
bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alfuzosinalfuzosin: structure given in first sourcemonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
alosetronalosetron : A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.imidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
alprazolamalprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.

Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238)
organochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
alprenololalprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.

Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.
secondary alcohol;
secondary amino compound
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
am 5804-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid : An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARalpha agonist.

Am 580: a selctive retinoic acid receptor (alpha) agonist; structure given in first source
amidobenzoic acid;
tetralins
antineoplastic agent;
retinoic acid receptor alpha/beta agonist
ambenoniumambenonium : A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens.quaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor
3-(2'-aminobenzhydryloxy)tropanediarylmethane
pimagedineaminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.

pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure
guanidines;
one-carbon compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
theophyllinedimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
2-aminothiazole1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2.

2-aminothiazole: RN given refers to parent cpd; structure
1,3-thiazoles;
primary amino compound
amiodaroneamiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.

Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug
amitriptylineamitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.

Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.
carbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlexanoxamlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position.

amlexanox: SRA-A antagonist;structure given in first source
monocarboxylic acid;
pyridochromene
anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
amodiaquineamodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.

Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.
aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
amoxapineamoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.

Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
ampiroxicamampiroxicam : A benzothiazine that is the 1-[(ethoxycarbonyl)oxy]ethyl ether of piroxicam. A prodrug for piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis.

ampiroxicam: prodrug of piroxicam; structure given in first source
acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide
analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
amsacrineamsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity.

Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent.
acridines;
aromatic ether;
sulfonamide
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anethole trithioneAnethole Trithione: Choleretic used to allay dry mouth and constipation due to tranquilizers.methoxybenzenes
anthralinanthralin : An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9.

Anthralin: An anthracene derivative that disrupts MITOCHONDRIA function and structure and is used for the treatment of DERMATOSES, especially PSORIASIS. It may cause FOLLICULITIS.
anthracenesantipsoriatic
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolaporphine alkaloid
aprindineAprindine: A class Ib anti-arrhythmia agent used to manage ventricular and supraventricular arrhythmias.indanes
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl esterdihydropyridine
aspirinacetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.

acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.

Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)
benzoic acids;
phenyl acetates;
salicylates
anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
astemizoleastemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.

Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.
benzimidazoles;
piperidines
anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
aurintricarboxylic acidaurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.

Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.
monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid
fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
azathioprineazathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.

Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed)
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine
antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelastineazelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.

azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia
monochlorobenzenes;
phthalazines;
tertiary amino compound
anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
2,2-bis(4-glycidyloxyphenyl)propane2,2-bis(4-glycidyloxyphenyl)propane: structurediarylmethane
benextraminebenextramine: RN given refers to parent cpd
benoxathianbenoxathian: RN given refers to parent cpd; structure given in first source
benzbromaronebenzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.

Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.
1-benzofurans;
aromatic ketone
uricosuric drug
benzo(a)pyreneBenzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.

benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
benzocainebenzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.

Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.

dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.
benzoate ester;
substituted aniline
allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
cogentindiarylmethane
benzyl isothiocyanatebenzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinomabenzenes;
isothiocyanate
antibacterial drug
butylbenzyl phthalatespatozoate: structure in first sourcebenzyl ester
bepridilbepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl.

Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist.
pyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
berberinealkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound
antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker
diminazenediminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.

Diminazene: An effective trypanocidal agent.
carboxamidine;
triazene derivative
antiparasitic agent;
trypanocidal drug
5-methoxypsoralen5-methoxypsoralen : A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.

5-Methoxypsoralen: A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS.
5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens
hepatoprotective agent;
plant metabolite
benzo(b)thiophene-2-boronic acidbenzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source
beta-naphthoflavonebeta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.

beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308)
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound
aryl hydrocarbon receptor agonist
bay h 45021-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1.

bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.
biphenyls;
imidazoles
biperidenbiperiden : A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease.

Biperiden: A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine.
piperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisindolylmaleimide ibisindolylmaleimide I: a bis(indolyl)maleimide
2-(1-(2-(1-methylpyrrolidino)ethyl)-1h-indol-3-yl)maleimidebisindolylmaleimide II: protein kinase C inhibitor; see also bisindolylmaleimide I
bisindolylmaleimide iiibisindolylmaleimide III: structure in first sourceindoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor
bisindolylmaleimide ivindoles;
maleimides
bisindolylmaleimide vbisindolylmaleimide V: used as a negative control compound for protein kinase C inhibition; structure in first source;indoles
ro 31-7549Ro 31-7549: structure
ro 31-8425
bithionolbithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.

Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations.
aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol
antifungal agrochemical;
antiplatyhelmintic drug
bms 961BMS 961: a retinoic acid receptor gamma agonist; no further info available 10/2006
brotizolambrotizolam: structureorganic molecular entity
bufexamacbufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.

Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.
aromatic ether;
hydroxamic acid
antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bumetanideamino acid;
benzoic acids;
sulfonamide
diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
buspironebuspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.

Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.
azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
butambenbutamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders.

butamben: structure
amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline
local anaesthetic
butenafinebutenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections.

butenafine: studied on experimental dermatophytosis
naphthalenes;
tertiary amine
antifungal drug;
EC 1.14.13.132 (squalene monooxygenase) inhibitor
caffeinepurine alkaloid;
trimethylxanthine
adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
verapamil2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.

verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.

Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.
aromatic ether;
nitrile;
polyether;
tertiary amino compound
calmidazoliumcalmidazolium : An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein.

calmidazolium: powerful inhibitor of or red blood cell Ca++-ATPase & Ca++ transport into inside-out red blood cell vesicles; RN refers to chloride; structure in first source; an antagonist of calmodulin
imidazolium ionapoptosis inducer;
calmodulin antagonist
candesartancandesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.

candesartan: a nonpeptide angiotensin II receptor antagonist
benzimidazolecarboxylic acid;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
cannabinolCannabinol: A physiologically inactive constituent of Cannabis sativa L.dibenzopyran
cantharidinfurofuran
carbamazepinecarbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.

Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.
dibenzoazepine;
ureas
analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
carbamazepine epoxidecarbamazepine epoxide: metabolite of carbamazepine; RN given refers to unlabeled cpd

carbamazepine-10,11-epoxide : An epoxide and metabolite of carbamazepine.
dibenzoazepine;
epoxide;
ureas
allergen;
drug metabolite;
marine xenobiotic metabolite
carbetapentanecarbetapentane: RN given refers to parent cpdbenzenes
carmofurorganohalogen compound;
pyrimidines
carmustinecarmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.

Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed)
N-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
carbonyl cyanide m-chlorophenyl hydrazoneCarbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.

CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.
hydrazone;
monochlorobenzenes;
nitrile
antibacterial agent;
geroprotector;
ionophore
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizinecetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.

Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines
anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cetylpyridiniumCetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.pyridinium ion
cgs 120664-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline
serotonergic agonist
cgs 159439-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist

CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline
adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
chelerythrinechelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.benzophenanthridine alkaloid;
organic cation
antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
chlorambucilchlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.

Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed)
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chloroquinechloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.

Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chloroxinechloroxine : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp.monohydroxyquinoline;
organochlorine compound
antibacterial agent;
antifungal drug;
antiseborrheic
chlorpheniraminechlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.

Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.
monochlorobenzenes;
pyridines;
tertiary amino compound
anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazinechlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.

Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.
organochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
chlorprophamchlorpropham : A carbamate ester that is the isopropyl ester of 3-chlorophenylcarbamic acid.

Chlorpropham: A carbamate that is used as an herbicide and as a plant growth regulator.
benzenes;
carbamate ester;
monochlorobenzenes
herbicide;
plant growth retardant
chlorthalidoneChlorthalidone: A benzenesulfonamide-phthalimidine that tautomerizes to a BENZOPHENONES form. It is considered a thiazide-like diuretic.isoindoles;
monochlorobenzenes;
sulfonamide
chlorzoxazonechlorzoxazone : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm.

Chlorzoxazone: A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202)
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound
muscle relaxant;
sedative
ci 994tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.

tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells
acetamides;
benzamides;
substituted aniline
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
cifenlinediarylmethane
ciglitazoneciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.

ciglitazone: structure given in second source; PPAR agonist used for type II diabetes
aromatic ether;
thiazolidinone
antineoplastic agent;
insulin-sensitizing drug
cilostamidecilostamide: selective inhibitor of cyclic AMP phosphodiesterase & platelet aggregation; structurequinolines
ciprofibratecyclopropanes;
monocarboxylic acid;
organochlorine compound
antilipemic drug
ciprofloxacinciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.

Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.
aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic;
zwitterion
antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisplatin
cisapridecisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.

Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed)
benzamides
citalopram1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.

citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.

Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
5,7-dimethoxycoumarin5,7-dimethoxycoumarin: has photobiological activitycoumarins
cl 387785CL 387785: structure in first source

N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide : A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group.
bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
cleboprideclebopride: antidopaminergic; RN given refers to parent cpd; structurepiperidines
clemastine
clenbuterolclenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.

Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.
amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline
beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
clioquinol5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease.

Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide.
monohydroxyquinoline;
organochlorine compound;
organoiodine compound
antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clofiliumclofilium: RN given refers to parent cpd; structurebenzenes;
organic amino compound
clofoctoldiarylmethane
clomipramineclomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.

Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
cloxyquincloxyquin: has antitubercular activity; structure in first sourceorganochlorine compound;
quinolines
cocaine
coumaphosCoumaphos: A organothiophosphorus cholinesterase inhibitor that is used as an anthelmintic, insecticide, and as a nematocide.organic thiophosphate;
organochlorine compound;
organothiophosphate insecticide
acaricide;
agrochemical;
antinematodal drug;
avicide;
EC 3.1.1.8 (cholinesterase) inhibitor
2-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
4-cresol4-cresol: RN given refers to parent cpd

p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.
cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
cyclobenzaprinecyclobenzaprine : 5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.

cyclobenzaprine: RN given refers to parent cpd; Lisseril is synonymous for HCl; structure
carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
cyproheptadinecyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.

Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.
piperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
dimethyl 2,3,5,6-tetrachloroterephthalatedimethyl 2,3,5,6-tetrachloroterephthalate: structurediester;
methyl ester
damnacanthaldamnacanthal: structure given in first source; isolated from the stem bark and roots of Morinda lucida; a selective inhibitor of p56(lck) tyrosine kinase activityaldehyde;
monohydroxyanthraquinone
decamethoniumdecamethonium : A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents.

decamethonium: RN given refers to parent cpd
quaternary ammonium ionmuscle relaxant;
nicotinic acetylcholine receptor agonist
denbufyllinedenbufylline: structure given in first sourceoxopurine
dephostatindephostatin: from Streptomyces sp. MJ742-NF5; structure given in first source
dequaliniumdequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.

Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.
quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
desipraminedesipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.

Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.
dibenzoazepine;
secondary amino compound
adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
racemethorphan6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene : An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11.aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound
diazepamdiazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.

Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.
1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazinondiazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.

Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.
organic thiophosphate;
pyrimidines
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dibutyl phthalatedibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.

Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.
diester;
phthalate ester
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent
diclofenacdiclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.

Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.
amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
dichlorophenDichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)bridged diphenyl fungicide;
diarylmethane
dichlorphenamideDichlorphenamide: A carbonic anhydrase inhibitor that is used in the treatment of glaucoma.

diclofenamide : A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma.
dichlorobenzene;
sulfonamide
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dichlorvosdichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.

Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE.
alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide
anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
dicyclominedicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.

Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms.
carboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acidPentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.pentacarboxylic acidcopper chelator
dilazepdilazep : A member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits antiplatelet, antianginal and vasodilator properties.

Dilazep: Coronary vasodilator with some antiarrhythmic activity.
benzoate ester;
diazepane;
diester;
methoxybenzenes
cardioprotective agent;
platelet aggregation inhibitor;
vasodilator agent
dilacor xr5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate : A lactam that is 2,3-dihydro-1,5-benzothiazepin-4(5H)-one in which positions 2 and 3 are substituted by 4-methoxyphenyl and acetoxy, respectively, while the hydrogen attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group.acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound
dimercaproldimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury.

Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.
dithiol;
primary alcohol
chelator
diphenhydramineantitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.

diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.

Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.
ether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
diphenyleneiodoniumdibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.

diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor
organic cation
benzophenonebenzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.benzophenonesphotosensitizing agent;
plant metabolite
dipyridamoledipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.

Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752)
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
dipyrithionepyridinium ion
disopyramidedisopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.

Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties.
monocarboxylic acid amide;
pyridines;
tertiary amino compound
anti-arrhythmia drug
stallimycin
disulfiramorganic disulfide;
organosulfur acaricide
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acidvalproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.

Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.
branched-chain fatty acid;
branched-chain saturated fatty acid
anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
thiorphanThiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.N-acyl-amino acid
n(6),n(6)-dimethyladenineN(6),N(6)-dimethyladenine : A tertiary amine that is adenine substituted at N-6 by geminal methyl groups.tertiary amine
2,3-dimethoxy-1,4-naphthoquinone2,3-dimethoxynaphthalene-1,4-dione : A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis.1,4-naphthoquinones
domperidonedomperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.

Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.
benzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
donepezil2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.

donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.

Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.
aromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
doxazosindoxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure.

Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker.
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
droperidoldroperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.

Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593)
aromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
dycloninearomatic ketone;
piperidines
topical anaesthetic
e 4031E 4031: class III anti-arrhythmia agent; structure given in UDsulfonamide
ebastineorganic molecular entity
ebselenebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
econazole1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.

econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.

Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
edrophoniumedrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals.

Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles.
phenols;
quaternary ammonium ion
antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
9-(2-hydroxy-3-nonyl)adenine9-(2-hydroxy-3-nonyl)adenine: specific inhibitor of adenosine deaminase
ellipticineellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene
antineoplastic agent;
plant metabolite
embelinembelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease.

embelin: from Embelia fruit (Myrsinaceae)
dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
endothallendothall: minor descriptor (72-82); online & Index Medicus search DICARBOXYLIC ACIDS (72-82)
enoxacinenoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea.

Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID.
1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
epinastineepinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine.

epinastine: RN given refers parent cpd
benzazepine;
guanidines
anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
etazolateetazolate : A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties.

Etazolate: A potent phosphodiesterase inhibitor proposed as an antipsychotic agent.
ethyl ester;
hydrazone;
pyrazolopyridine
alpha-secretase activator;
antidepressant;
antipsychotic agent;
anxiolytic drug;
GABA agent;
neuroprotective agent;
phosphodiesterase IV inhibitor
ethacrynic acidetacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.

Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.
aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid
EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
ethionethion : An organic thiophosphate that is S,S'-methanediyl bis[dihydrogen (phosphorodithioate)] in which all the hydroxy groups have been converted to their corresponding ethyl esters respectively. Ethion is an organophosphate insecticide with inhibitory activity towards the enzyme acetylcholinesterase ( EC 3.1.1.7).

ethion: minor descriptor (73-82); online & Index Medicus search INSECTICIDES, ORGANOTHIOPHOSPHATE (73-82)
organic thiophosphateacaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
profenamineprofenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease.

profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94
phenothiazines;
tertiary amino compound
adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
ethoxzolamideethoxzolamide : A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic.

Ethoxzolamide: A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia.
aromatic ether;
benzothiazoles;
sulfonamide
antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
etizolametizolam: structure given in first sourceorganic molecular entity
s-ethyl n-(4-(trifluoromethyl)phenyl)isothioureaS-ethyl N-(4-(trifluoromethyl)phenyl)isothiourea: structure in first source
felodipinefelodipine : The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.

Felodipine: A dihydropyridine calcium antagonist with positive inotropic effects. It lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels.
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenbendazolefenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.

Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.
aryl sulfide;
benzimidazoles;
carbamate ester
antinematodal drug
fenofibratePharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINEaromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fentanylfentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.

Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078)
anilide;
monocarboxylic acid amide;
piperidines
adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fexofenadinefexofenadine : A piperidine-based anti-histamine compound.

fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl
piperidines;
tertiary amine
anti-allergic agent;
H1-receptor antagonist
flavoxateflavoxate : A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol.

Flavoxate: A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist.
carboxylic ester;
flavones;
piperidines;
tertiary amino compound
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flecainideflecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).

Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS.
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines
anti-arrhythmia drug
fluconazolefluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.

Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
flufenamic acidflufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.

Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)
aromatic amino acid;
organofluorine compound
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorouracil5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.

Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.
nucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetinefluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.

Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
flurbiprofenflurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.

Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.
fluorobiphenyl;
monocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fluspirileneFluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.diarylmethane
flutamideFlutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.(trifluoromethyl)benzenes;
monocarboxylic acid amide
androgen antagonist;
antineoplastic agent
foscarnetFoscarnet: An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV.

phosphonoformic acid : Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.
carboxylic acid;
one-carbon compound;
phosphonic acids
antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
fosfosalfosfosal: reagent for testing the activity of certain enzymesaryl phosphate
furafyllineoxopurine
furosemidefurosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.

Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.
chlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
liquid crystal polymerbromuconazole : A member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines.

bromuconazole: a fungicide; structure in first source
conazole fungicide;
dichlorobenzene;
organobromine compound;
oxolanes;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
gallamine triethiodidearomatic ether
vanoxerinevanoxerine : An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.

vanoxerine: structure given in first source
ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound
dopamine uptake inhibitor
gbr 129351-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine : An N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).ether;
N-alkylpiperazine;
tertiary amino compound
dopamine uptake inhibitor
gentian violetcrystal violet cation : An iminium ion that is malachite green cation in which the hydrogen at the para- psition of the monosubstituted phenyl group is replaced by a dimethylamino group.iminium ionantibacterial agent;
antifungal agent
2,5-dihydroxybenzoic acid2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.

2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin
dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
glutaralGlutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.

glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.
dialdehydecross-linking reagent;
disinfectant;
fixative
glyburideglyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.

Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide
monochlorobenzenes;
N-sulfonylurea
anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
go 6976indolocarbazole;
organic heterohexacyclic compound
EC 2.7.11.13 (protein kinase C) inhibitor
gossypolGossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.
gr 89696GR 89696: a potent & selective kappa opioid receptor agonist; RN given refers to (E)-2-butenedioate(1:1); RN for parent cpd not available 11/92; GR 103545 is the (R)-isomeracetamides
granisetronaromatic amide;
indazoles
guanethidineguanethidine : A member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group.

guanethidine sulfate : A organic sulfate salt composed of two molecules of guanethidine and one of sulfuric acid.

Guanethidine: An antihypertensive agent that acts by inhibiting selectively transmission in post-ganglionic adrenergic nerves. It is believed to act mainly by preventing the release of norepinephrine at nerve endings and causes depletion of norepinephrine in peripheral sympathetic nerve terminals as well as in tissues.
azocanes;
guanidines
adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
gw8510GW8510: 3' substituted indolone as a scaffold for the development of neuroprotective drug; structure in first source
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamideisoquinolines;
sulfonamide
1-(5-isoquinolinesulfonyl)-2-methylpiperazine1-(5-isoquinolinesulfonyl)-2-methylpiperazine : A member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group.

1-(5-Isoquinolinesulfonyl)-2-Methylpiperazine: A specific protein kinase C inhibitor, which inhibits superoxide release from human neutrophils (PMN) stimulated with phorbol myristate acetate or synthetic diacylglycerol.
isoquinolines;
N-sulfonylpiperazine
EC 2.7.11.13 (protein kinase C) inhibitor
n-(2-aminoethyl)-5-isoquinolinesulfonamide
1-(5-isoquinolinesulfonyl)piperazineisoquinolines
fasudilfasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

fasudil: intracellular calcium antagonist; structure in first source
isoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
haloperidolhaloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.

Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279)
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
harmalineharmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.

Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.
harmala alkaloidoneirogen
2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first sourcetannin
hexachlorophenehexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.

Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
miltefosinemiltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.

miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin
phosphocholines;
phospholipid
anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
4-fluorohexahydrosiladifenidol
hexestrolstilbenoid
hexylresorcinolresorcinols
beta-thujaplicinbeta-thujaplicin : A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.

beta-thujaplicin: structure
cyclic ketone;
enol;
monoterpenoid
antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
huprine xhuprine X: structure in first source
hycanthonehycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.

Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE.
thioxanthenesmutagen;
schistosomicide drug
hydralazinehydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent.

Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent.
azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
hydrochlorothiazidehydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.

Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.
benzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroflumethiazidehydroflumethiazide : A benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide.

Hydroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822)
benzothiadiazine;
thiazide
antihypertensive agent;
diuretic
hydroxychloroquinehydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.

Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970)
aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
velnacrinevelnacrine: RN given refers to (+-)-isomer; RN for cpd without isomeric designation not available 8/88; structure in first source; potential Alzheimer's disease drug but trial halted due to abnormal liver testsacridines
hydroxyureaone-carbon compound;
ureas
antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hypericin
ibudilastpyrazolopyridine
ibuprofenMidol: combination of cinnamedrine, phenacetin, aspirin & caffeinemonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
ic 261indoles
phenelzinePhenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.primary amine
lidocainelidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.

Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.
benzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
idebenone1,4-benzoquinones;
primary alcohol
antioxidant;
ferroptosis inhibitor
ifenprodilifenprodil: NMDA receptor antagonistpiperidines
imipramineimipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.

Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinoneamrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure.

Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell.
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamideindapamide : A sulfonamide formed by condensation of the carboxylic group of 4-chloro-3-sulfamoylbenzoic acid with the amino group of 2-methyl-2,3-dihydro-1H-indol-1-amine.

Indapamide: A benzamide-sulfonamide-indole derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.
indoles;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic
indirubin-3'-monoximeindirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.

indirubin-3'-monoxime: has antiangiogenic activity
indirubin-5-sulfonate
indomethacinindometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.

Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole
analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic;
xenobiotic metabolite
indoprofenindoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein.

Indoprofen: A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p21)
gamma-lactam;
isoindoles;
monocarboxylic acid
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
iodoquinoliodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis.

Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide.
monohydroxyquinoline;
organoiodine compound
antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
iofetamineIofetamine: An amphetamine analog that is rapidly taken up by the lungs and from there redistributed primarily to the brain and liver. It is used in brain radionuclide scanning with I-123.
ipriflavoneipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women.aromatic ether;
isoflavones
bone density conservation agent
avaproirbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.

Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.
azaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
1-methyl-3-isobutylxanthine1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES

3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.
3-isobutyl-1-methylxanthine
isoconazole1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1.

isoconazole : A racemate comprising equimolar amounts of (R)- and (S)-isoconazole. A broad-spectrum antibacterial drug used (as its nitrate salt) for treatment of dermatomycoses.
dichlorobenzene;
ether;
imidazoles
isoetharineIsoetharine: Adrenergic beta-2 agonist used as bronchodilator for emphysema, bronchitis and asthma.catecholamine
itraconazolepiperazines
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanoneZM39923: structure in first sourcenaphthalenes
1-(2-naphthalenyl)-2-propen-1-onenaphthalenes
juglonejuglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities.

juglone: structure
hydroxy-1,4-naphthoquinonegeroprotector;
herbicide;
reactive oxygen species generator
staurosporine aglyconestaurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor
nsc 664704kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).

kenpaullone: inhibits CDK1/cyclin B; structure in first source
indolobenzazepine;
lactam;
organobromine compound
cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
ketoconazole1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketoprofenketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.

Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.
benzophenones;
oxo monocarboxylic acid
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketorolac5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively.

ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure.

Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed)
amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate
analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
ketotifenketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.

Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound
anti-asthmatic drug;
H1-receptor antagonist
kojic acid4-pyranones;
enol;
primary alcohol
Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
labetalol2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.

labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.

Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine1,2,4-triazines;
dichlorobenzene;
primary arylamine
anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lansoprazoleLansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers.benzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachonebeta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.

beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase
benzochromenone;
orthoquinones
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
lavendustin alavendustin A: from Streptomyces griseolavendus; structure given in first sourcearomatic amine
2-hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acidaromatic amine
leflunomideleflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.

Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide
antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lg 100268LG 100268: a retinoid X receptor (RXR) selective compound; structure given in first source
lidoflazineLidoflazine: Coronary vasodilator with some antiarrhythmic action.diarylmethane
linopirdinelinopirdine: acetylcholine releasing drugindoles
liranaftatepiritetrate: structure given in first sourcetetralins
lomefloxacinlomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.

lomefloxacin: structure given in first source
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
antimicrobial agent;
antitubercular agent;
photosensitizing agent
loperamideloperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.

Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol
anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadineloratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.

Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
losartanlosartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position

Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.
biphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
loxapineLoxapine: An antipsychotic agent used in SCHIZOPHRENIA.dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
ly 171883LY 171883: structure in first source; leukotriene receptor antagonist

tomelukast : A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.
acetophenones;
aromatic ether;
phenols;
tetrazoles
anti-asthmatic drug;
leukotriene antagonist
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first sourcechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source

4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines.
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
mafenideMafenide: A sulfonamide that inhibits the enzyme CARBONIC ANHYDRASE and is used as a topical anti-bacterial agent, especially in burn therapy.aromatic amine
maprotilineMaprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.anthracenes
edaravonepyrazoloneantioxidant;
radical scavenger
mebendazolemebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.

Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.
aromatic ketone;
benzimidazoles;
carbamate ester
antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclofenamic acid(1-)meclofenamic acid(1-) : A monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of meclofenamic acid. The major species at pH 7.3.monocarboxylic acid anion
mefloquine hydrochloride[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.organofluorine compound;
piperidines;
quinolines;
secondary alcohol
sarkolysinmonocarboxylic acid
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
vitamin k 3Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.1,4-naphthoquinones;
vitamin K
angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidineMeperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.

pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.
ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound
antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mepivacainemepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic.

Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168)
piperidinecarboxamidedrug allergen;
local anaesthetic
mequitazinemequitazine: RN given refers to parent cpd without isomeric designation; structurephenothiazines
mesoridazinemesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group.

Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.
phenothiazines;
sulfoxide;
tertiary amino compound
dopaminergic antagonist;
first generation antipsychotic
methadone6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.

methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.

Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3)
benzenes;
diarylmethane;
ketone;
tertiary amino compound
methazolamideMethazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.sulfonamide;
thiadiazoles
methiothepinmethiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).

Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic.
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
methoctraminearomatic ether;
tetramine
muscarinic antagonist
methoxsalenmethoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.

Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.
aromatic ether;
psoralens
antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
3,7-bis(dimethylamino)phenothiazin-5-ium3,7-bis(dimethylamino)phenothiazin-5-ium : An organic cation that is phenothiazin-5-ium substituted by dimethylamino groups at positions 3 and 7. The chloride salt is the histological dye 'methylene blue'.organic cation
metoclopramidemetoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.

Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic.
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metolazonemetolazone : A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.

Metolazone: A quinazoline-sulfonamide derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.
organochlorine compound;
quinazolines;
sulfonamide
antihypertensive agent;
diuretic;
ion transport inhibitor
mexiletinemexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.

Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties.
aromatic ether;
primary amino compound
anti-arrhythmia drug
mianserinmianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.

Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.
dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.

miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.

Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.
dichlorobenzene;
ether;
imidazoles
midazolammidazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.

Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.
imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
minaprineminaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structuremorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake inhibitor
mitoxantronemitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.

Mitoxantrone: An anthracenedione-derived antineoplastic agent.
dihydroxyanthraquinoneanalgesic;
antineoplastic agent
ml 7ML-7 : An N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18).N-sulfonyldiazepane;
organoiodine compound
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
ml 9naphthalenes;
sulfonic acid derivative
moclobemidemoclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.

Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties.
benzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
entinostatbenzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
1,3-dicyclohexylurea1,3-dicyclohexylurea: degradation product of 1-(2-chloroethyl)-3- cyclohexyl-1-nitrosourea; structureureas
acecainideAcecainide: A major metabolite of PROCAINAMIDE. Its anti-arrhythmic action may cause cardiac toxicity in kidney failure.

N-acetylprocainamide : A benzamide obtained via formal condensation of 4-acetamidobenzoic acid and 2-(diethylamino)ethylamine.
acetamides;
benzamides
anti-arrhythmia drug
clorgylineclorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.

Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.
aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound
antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor
deoxyepinephrineDeoxyepinephrine: Sympathomimetic, vasoconstrictor agent.catecholamine
fenamic acidfenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.

fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd
aminobenzoic acid;
secondary amino compound
membrane transport modulator
nabumetonenabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.

Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.
methoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
naftopidilpiperazines
nalednaled : An dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union.

Naled: An organophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.
dialkyl phosphate;
organobromine compound;
organochlorine compound;
organophosphate insecticide
acaricide;
agrochemical;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
nefazodonenefazodone: may be useful as an opiate adjunctaromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
neostigmineneostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.

Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.
quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
nialamideNialamide: An MAO inhibitor that is used as an antidepressive agent.organonitrogen compound;
organooxygen compound
nicardipine2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively.

nicardipine : A racemate comprising equimolar amounts of (R)- and (S)-nicardipine. It is a calcium channel blocker which is used to treat hypertension.

Nicardipine: A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents.
benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
niclosamideniclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.

Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48)
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipineNifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.C-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nifekalantamine
niflumic acidNiflumic Acid: An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.aromatic carboxylic acid;
pyridines
nilutamide(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone
androgen antagonist;
antineoplastic agent
nimetazepamnimetazepam : A nitrazepam which is substituted at positions 1 by a methyl group. It is used as an anticonvulsant and as a hypnotic for the short-term management of insomnia.1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nimodipinenimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.

Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipinemethyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.

nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris.

Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nisoxetinenisoxetine : A secondary amino compound that is N-methyl-3-phenylpropan-1-amine substituted at position 3 by a 2-methoxyphenoxy group.

nisoxetine: potent inhibitor for norepinephrine uptake into rat brain synaptosomes & brain; NM refers to (+-)-isomer; RN given refers to parent cpd; structure
aromatic ether;
secondary amino compound
adrenergic uptake inhibitor;
antidepressant
nitrendipinenitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.

Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nizatidine1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
nomifensinenomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.

Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266)
isoquinolinesdopamine uptake inhibitor
masoprocolnordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata)catechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfluoxetinenorfluoxetine: metabolite of fluoxetine; RN given refers to parent cpd without isomeric designation(trifluoromethyl)benzenes
nortriptylinenortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.

Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.
organic tricyclic compound;
secondary amine
adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ns 1619NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).

NS 1619: structure given in first source
(trifluoromethyl)benzenes;
benzimidazoles;
phenols
potassium channel opener
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamideN-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide: structure given in first source

NS-398 : A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2.
aromatic ether;
C-nitro compound;
sulfonamide
antineoplastic agent;
cyclooxygenase 2 inhibitor
nu6102NU6102: structure in first source
nylidrinNylidrin: A beta-adrenergic agonist. Nylidrin causes peripheral vasodilation, a positive inotropic effect, and increased gastric volume of gastric juice. It is used in the treatment of peripheral vascular disorders and premature labor.alkylbenzene
ofloxacin9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.

ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.

Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
olomoucineolomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.

olomoucine: inhibits protein P34CDC2
2,6-diaminopurines;
ethanolamines
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
olprinoneolprinone: RN refers to HCl; structure given in first sourcebipyridines
omeprazole5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.

omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.

Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetronOndansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.carbazoles
orphenadrineorphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.

Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.
ether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
osalmideosalmide: structureorganic molecular entity
oxaprozinoxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.

Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.
1,3-oxazoles;
monocarboxylic acid
analgesic;
non-steroidal anti-inflammatory drug
oxatomideoxatomide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one substituted by a 3-[4-(diphenylmethyl)piperazin-1-yl]propyl group at position 1. It is an anti-allergic drug.

oxatomide: structure; an anti-allergic & an anti-asthmatic
benzimidazoles;
diarylmethane;
N-alkylpiperazine
anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
oxibendazoleoxibendazole: structurebenzimidazoles;
carbamate ester
oxidopamineoxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).

Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.
benzenetriol;
catecholamine;
primary amino compound
drug metabolite;
human metabolite;
neurotoxin
oxybutyninoxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.

oxybutynin: RN given refers to parent cpd
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound
antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
oxymetazolineoxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.

Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251)
carboxamidine;
imidazolines;
phenols
alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
quinone1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.

benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.

quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
pamidronatephosphonoacetic acid
papaverinepapaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.

Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.
benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines
antispasmodic drug;
vasodilator agent
pd 1530354-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source

PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pd 158780aromatic amine;
bromobenzenes;
diamine;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pd168393PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline
epidermal growth factor receptor antagonist
pd 1693162-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitorimidazoles
pd 980592-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source

2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.
aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
pentamidinepentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.

Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.
aromatic ether;
carboxamidine;
diether
anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pentobarbitalpentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.

Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236)
barbituratesGABAA receptor agonist
pentoxifyllineoxopurine
perhexilinePerhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.piperidinescardiovascular drug
perphenazineperphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.

Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenacetinSaridon: contains phenacetin, caffeine, propyphenazone & pyrithyldioneacetamides;
aromatic ether
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phenobarbitalphenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.

Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.
barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
4-phenylbutyric acid4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.

4-phenylbutyric acid: RN refers to the parent cpd
monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
oxophenylarsineoxophenylarsine: inhibits protein-tyrosine-phosphatase

phenylarsine oxide : An arsine oxide derived from phenylarsine.
arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
phloretindihydrochalconesantineoplastic agent;
plant metabolite
o-phthalaldehydeo-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids.

phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring.
benzaldehydes;
dialdehyde
epitope
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamatepyrroloindole
pilsicainidepilsicainide : A secondary carboxamide resulting from the formal condensation of the amino group of 2,6-dimethylaniline with the carboxy group of (tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid. It is a sodium channel blocker which is used as an antiarrhythmic drug for the management of atrial tachyarrhythmias in Japan.

pilsicainide: structure given in first source
organic heterobicyclic compound;
secondary carboxamide
anti-arrhythmia drug;
sodium channel blocker
pj-34PJ34 : A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.phenanthridines;
secondary carboxamide;
tertiary amino compound
angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
pomiferinpomiferin: structure in first sourceisoflavanones
potassium chloridepotassium chloride : A metal chloride salt with a K(+) counterion.

Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.
inorganic chloride;
inorganic potassium salt;
potassium salt
fertilizer
potassium iodidepotassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.

Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed)
potassium saltexpectorant;
radical scavenger
1-NA-PP1pyrazolopyrimidinetyrosine kinase inhibitor
ag 18793-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitoraromatic amine;
monochlorobenzenes;
pyrazolopyrimidine
beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid : An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6.

pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid: a novel antagonist that selectively blocks P2 purinoceptor receptors; a useful tool to study co-transmission in tissues when ATP and coexisting neurotransmitters act in concert
arenesulfonic acid;
azobenzenes;
methylpyridines;
monohydroxypyridine;
organic phosphate;
pyridinecarbaldehyde
purinergic receptor P2X antagonist
ppm 18naphthoquinone
duodoteduodote: consists of atropine and pralidoxime chloride; for treating those exposed to organophosphorus-containing nerve agentspyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
prazosinprazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.

Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquineprimaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.

Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404)
aminoquinoline;
aromatic ether;
N-substituted diamine
antimalarial
probenecidprobenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.

Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.
benzoic acids;
sulfonamide
uricosuric drug
procainamideprocainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.

Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
prochlorperazineprochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.

Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
promazinepromazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.

Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.
phenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazinepromethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.

Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.
phenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propachlorpropachlor : An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent.

propachlor: structure
anilide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
propafenonepropafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.

Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.
aromatic ketone;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug
propentofyllineoxopurine
propidiumPropidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.phenanthridines;
quaternary ammonium ion
fluorochrome;
intercalator
propoxurpropoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group.

Propoxur: A carbamate insecticide.
aromatic ether;
carbamate ester
acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
propranololpropranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.

Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.
naphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
protopinedibenzazecine alkaloidplant metabolite
protriptylineProtriptyline: Tricyclic antidepressant similar in action and side effects to IMIPRAMINE. It may produce excitation.carbotricyclic compoundantidepressant
proxyphyllineoxopurine
pyridostigminepyridinium ion
pyrilaminemepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.

Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.
aromatic ether;
ethylenediamine derivative
H1-receptor antagonist
pyrimethamineMaloprim: contains above 2 cpdsaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
pyroxamidearomatic amide
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
6-nitroquipazine6-nitroquipazine: structure given in first sourcenitro compound;
quinolines
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-oneindoles
raloxifeneraloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
ranitidinearalkylamine
resorcinolresorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.

resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951
benzenediol;
phenolic donor;
resorcinols
erythropoietin inhibitor;
sensitiser
resveratrolpolyphenol;
resorcinols;
stilbenol
antioxidant;
geroprotector;
glioma-associated oncogene inhibitor;
phytoalexin
pf 5901alpha-pentyl-3-(2-quinolinylmethoxy)benzenemethanol: structure given in first source; platelet activating factor antagonistquinolines
riluzoleRiluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.benzothiazoles
risperidonerisperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
ritanserinritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.

Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.
organofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ro 31-8220Ro 31-8220: a protein kinase C inhibitorimidothiocarbamic ester;
indoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor
ro 31-8830Ro 31-8830: structure given in first source; derivative of Ro 31-8425 with in vivo anti-inflammatory activity
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.methoxybenzenes
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
etironetiron: a nitric oxide synthase inhibitor; RN given refers to parent cpd; structure
s-methylisothiopseudouroniumS-methylisothiopseudouronium: inhibits nitric oxide synthase; structure in first source
saccharinsaccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.

Saccharin: Flavoring agent and non-nutritive sweetener.
1,2-benzisothiazole;
N-sulfonylcarboxamide
environmental contaminant;
sweetening agent;
xenobiotic
sanguinarinebenzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
sb 206553SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first sourcepyrroloindole
sb 239063SB 239063: structure in first source

SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively.
imidazoles
sb 2021904-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinaseimidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
suberoyl bis-hydroxamic acidsuberoyl bis-hydroxamic acid: antineoplastic, Histone Deacetylase inhibitorhydroxamic acid
scriptaidscriptide: provokes translocation of GLUT4 to increase glucose uptake; structure in first sourceisoquinolines
semustinesemustine : An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-methylcyclohexyl group.

Semustine: 4-Methyl derivative of LOMUSTINE; (CCNU). An antineoplastic agent which functions as an alkylating agent.
N-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent
sulfadiazinediazine : The parent structure of the diazines.

sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.

Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.
pyrimidines;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
risedronic acidRisedronic Acid: A pyridine and diphosphonic acid derivative that acts as a CALCIUM CHANNEL BLOCKER and inhibits BONE RESORPTION.pyridines
4-phenylbutyric acid, sodium saltsodium phenylbutyrate : The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
fenofibratebenzochromenone;
delta-lactone;
naphtho-alpha-pyrone
platelet aggregation inhibitor;
Sir2 inhibitor
sq 225369-(tetrahydrofuryl)adenine : A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.nucleoside analogue;
oxolanes
EC 4.6.1.1 (adenylate cyclase) inhibitor
ACar 18-0O-acylcarnitine
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
streptonigrinpyridines;
quinolone
antimicrobial agent;
antineoplastic agent
vorinostatvorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).

Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.
dicarboxylic acid diamide;
hydroxamic acid
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
succinylacetone4,6-dioxoheptanoic acid : A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.

succinylacetone: inhibitor of heme biosynthesis
beta-diketone;
dioxo monocarboxylic acid
human metabolite
sulconazole1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.

sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.

sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source
dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
sulfanilamidesubstituted aniline;
sulfonamide;
sulfonamide antibiotic
antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazolesulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.

Sulfaphenazole: A sulfonilamide anti-infective agent.
primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide;
sulfonamide antibiotic
antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulforaphanesulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.

sulforaphane: from Cardaria draba L.
isothiocyanate;
sulfoxide
antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
sulmazolesulmazole : An imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent.

sulmazole: structure given in first source
imidazopyridine;
sulfoxide
adenosine A1 receptor antagonist;
cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
sulthiamesulthiame: was heading 1964-94 (see under THIAZINES 1964-90); use THIAZINES to search SULTHIAME 1966-94organic molecular entity
suraminsuramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.

Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide
angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
gatifloxacingatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.

Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tazarotenetazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin.

tazarotene: a topical acetylenic retinoid; a topical kerytolytic
acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane
keratolytic drug;
prodrug;
teratogenic agent
temazepamTemazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.benzodiazepine
temozolomideimidazotetrazine;
monocarboxylic acid amide;
triazene derivative
alkylating agent;
antineoplastic agent;
prodrug
terazosinTerazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasiafurans;
piperazines;
primary amino compound;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
terfenadineTerfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.diarylmethane
tetracainetetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.

Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.
benzoate ester;
tertiary amino compound
local anaesthetic
tetraisopropylpyrophosphamideTetraisopropylpyrophosphamide: N,N',N'',N'''-Tetraisopropylpyrophosphamide. A specific inhibitor of pseudocholinesterases. It is commonly used experimentally to determine whether pseudo- or acetylcholinesterases are involved in an enzymatic process.phosphoramide
thalidomide2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.

thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.

Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.
phthalimides;
piperidones
thiabendazoleTresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles
antifungal agrochemical;
antinematodal drug
thioridazinethioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.

Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.
phenothiazines;
piperidines
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiramthiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment.

Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations.
organic disulfideantibacterial drug;
antifungal agrochemical;
antiseptic drug
tofisopamtofisopam: structure; dextofisopam is the R-enantiomer of tofisopam & antidiarrhealorganic molecular entity
tolbutamidetolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.

Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290)
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
trequinsintrequinsin: RN given refers to parent cpd; structure given in first sourcepyridopyrimidine
triamterenetriamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.

Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.
pteridinesdiuretic;
sodium channel blocker
triazolamTriazolam: A short-acting benzodiazepine used in the treatment of insomnia. Some countries temporarily withdrew triazolam from the market because of concerns about adverse reactions, mostly psychological, associated with higher dose ranges. Its use at lower doses with appropriate care and labeling has been reaffirmed by the FDA and most other countries.triazolobenzodiazepinesedative
trichlormethiazidetrichlormethiazide : A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension.

Trichlormethiazide: A thiazide diuretic with properties similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830)
benzothiadiazine;
sulfonamide antibiotic
antihypertensive agent;
diuretic
triclosanaromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols
antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
trientine2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.

TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.

Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.
polyazaalkane;
tetramine
copper chelator
trifluoperazineN-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines
antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
trifluperidolTrifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)aromatic ketone
triflupromazinetriflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.

Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.
organofluorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trihexyphenidylTrihexyphenidyl: One of the centrally acting MUSCARINIC ANTAGONISTS used for treatment of PARKINSONIAN DISORDERS and drug-induced extrapyramidal movement disorders and as an antispasmodic.amine
trimethoprimtrimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.

Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.
aminopyrimidine;
methoxybenzenes
antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
trimipraminetrimipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant.

Trimipramine: Tricyclic antidepressant similar to IMIPRAMINE, but with more antihistaminic and sedative properties.
dibenzoazepine;
tertiary amino compound
antidepressant;
environmental contaminant;
xenobiotic
octoxynolTriton X-100 : A poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether.alkylbenzene
troglitazoneTroglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.chromanes;
thiazolidinone
anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
ics 205-930indolyl carboxylic acid
tyrphostin a9alkylbenzenegeroprotector
vesnarinoneorganic molecular entity
wb 4101N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist.aromatic ether;
benzodioxine;
secondary amino compound
alpha-adrenergic antagonist
whi p180
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist
xylometazolinexylometazoline: RN given refers to parent cpd; structurealkylbenzene
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source

lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.
aromatic primary alcohol;
furans;
indazoles
antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
ici 204,219zafirlukast: a leukotriene D4 receptor antagonistcarbamate ester;
indoles;
N-sulfonylcarboxamide
anti-asthmatic agent;
leukotriene antagonist
zardaverinezardaverine : A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.

zardaverine: structure given in first source
organofluorine compound;
pyridazinone
anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug
zm 336372N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first sourcebenzamides
zolpidemzolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.

Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.
imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zonisamidezonisamide : A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.

Zonisamide: A benzisoxazole and sulfonamide derivative that acts as a CALCIUM CHANNEL blocker. It is used primarily as an adjunctive antiepileptic agent for the treatment of PARTIAL SEIZURES, with or without secondary generalization.
1,2-benzoxazoles;
sulfonamide
anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
donepezil hydrochloridedonepezil hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)- donepezil hydrochloride. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.
prednisoloneprednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.

Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
estriolchlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.

hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid
estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
lysergic acid diethylamidelysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.

Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.
ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound
dopamine agonist;
hallucinogen;
serotonergic agonist
phentolaminephentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.

Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.
imidazoles;
phenols;
substituted aniline;
tertiary amino compound
alpha-adrenergic antagonist;
vasodilator agent
thymidinepyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
isoproterenol hydrochloridecatechols
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diolcatechols
thyroxinethyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.

Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine;
thyroxine zwitterion
antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
neostigmine methylsulfatearylammonium sulfate saltEC 3.1.1.8 (cholinesterase) inhibitor
norethindrone acetatenorethisterone acetate : A 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester.3-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound
progestin;
synthetic oral contraceptive
spironolactonespironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.

Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827)
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
cysteinecysteine;
cysteine zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid
EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
estroneHydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
dehydroepiandrosteronedehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.

Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid
androgen;
human metabolite;
mouse metabolite
methantheline bromidexanthenes
1,2,5,6-dibenzanthracene1,2,5,6-dibenzanthracene: RN given refers to parent cpdortho-fused polycyclic arenemutagen
2-acetylaminofluorene2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines.2-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
azauridineAzauridine: A triazine nucleoside used as an antineoplastic antimetabolite. It interferes with pyrimidine biosynthesis thereby preventing formation of cellular nucleic acids. As the triacetate, it is also effective as an antipsoriatic.N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
idoxuridineorganoiodine compound;
pyrimidine 2'-deoxyribonucleoside
antiviral drug;
DNA synthesis inhibitor
pentylenetetrazolepentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.

Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.
organic heterobicyclic compound;
organonitrogen heterocyclic compound
methyldimethylaminoazobenzene3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen.

Methyldimethylaminoazobenzene: A very potent liver carcinogen.
mechlorethamine hydrochloridemechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine.hydrochlorideantineoplastic agent
isoflurophateIsoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.dialkyl phosphate
benz(a)anthracenebenz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES

tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings.
ortho-fused polycyclic arene;
tetraphenes
aspartic acidaspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent

Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.

L-aspartic acid : The L-enantiomer of aspartic acid.
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
cetrimonium bromidecetyltrimethylammonium bromide : The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.organic bromide salt;
quaternary ammonium salt
detergent;
surfactant
cyanidescyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.

cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.

Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.

isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).
pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor
chlorobutanoltertiary alcohol
vincristineacetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid
antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
physostigminePhysostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.carbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sulfamic acidsulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.

sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure
sulfamic acids
ethinyl estradiol17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.

Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound
xenoestrogen
9,10-dimethyl-1,2-benzanthracene7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.

9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.
ortho-fused polycyclic arene;
tetraphenes
carcinogenic agent
apomorphineApomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
methyltestosteronemethyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.

Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone
anabolic agent;
androgen;
antineoplastic agent
promethazine hydrochloridehydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
adenosine diphosphateAdenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
fundamental metabolite;
human metabolite
2,3,4,6-tetrachlorophenol2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.

2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified
tetrachlorophenolxenobiotic metabolite
uridineuridinesdrug metabolite;
fundamental metabolite;
human metabolite
uridine monophosphateuridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase.

Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.
pyrimidine ribonucleoside 5'-monophosphate;
uridine 5'-phosphate
Escherichia coli metabolite;
human metabolite;
mouse metabolite
kanamycin akanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.

Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.
kanamycinsbacterial metabolite
bromodeoxyuridineBromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
galactosegalactopyranose : The pyranose form of galactose.D-galactose;
galactopyranose
Escherichia coli metabolite;
mouse metabolite
carbostyrilquinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.

Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.
monohydroxyquinoline;
quinolone
bacterial xenobiotic metabolite
levodopaL-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease

Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.
amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
edetic acidEdetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid
anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
p-aminoazobenzene4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen.

p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines.
p-dimethylaminoazobenzenep-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed)azobenzenes
tyrosinetyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.

Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine
EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
phlorhizinaryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative
antioxidant;
plant metabolite
mepazinemepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd

pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position.
phenothiazines
adenosine monophosphateAdenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate
adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
n,n-dimethyltryptamineN,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain.

N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS.
tryptamine alkaloid;
tryptamines
methylene bluemethylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.

Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.
organic chloride saltacid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer
berlition(R)-lipoic acid : The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties.

berlition: antioxidant preparation containing alpha-lipoic acid, used in the neuroprotective therapy of chronic brain ischemia for correction of free-radical processes

lipoic acid : A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid
cofactor;
nutraceutical;
prosthetic group
dimethylnitrosamineDimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.nitrosaminegeroprotector;
mutagen
androstenedioneandrost-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.

Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
phenylalanineL-phenylalanine : The L-enantiomer of phenylalanine.

phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.

Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid
algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
colchicine(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.alkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
cycloheximidecycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.

Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol
anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
ficusinFicusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.

psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.
psoralensplant metabolite
dimethyl sulfonesulfone
fluocinolone acetonidefluocinolone acetonide : A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders.

Fluocinolone Acetonide: A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732)
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone
anti-inflammatory drug;
antipruritic drug
sodium citrate, anhydroussodium citrate : The trisodium salt of citric acid.

Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.
organic sodium saltanticoagulant;
flavouring agent
benziodaronebenziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74)aromatic ketone
tubercidintubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus.

Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside
antimetabolite;
antineoplastic agent;
bacterial metabolite
cytarabinebeta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside
antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
phenacyl bromidephenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2.

phenacyl bromide: structure
acetophenones;
alpha-bromoketone
metabolite
dinitrofluorobenzene1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions.

Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups.
C-nitro compound;
organofluorine compound
agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent
histidinehistidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.

Histidine: An essential amino acid that is required for the production of HISTAMINE.

L-histidine : The L-enantiomer of the amino acid histidine.
amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
medroxyprogesterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester
adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
trypan blueVisionBlue: A trypan blue ophthalmic solution.
chlorquinaldolchlorquinaldol : A monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections.

Chlorquinaldol: Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant.
monohydroxyquinoline;
organochlorine compound
antibacterial drug;
antiprotozoal drug;
antiseptic drug
tryptophantryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.

Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
L-alpha-amino acid zwitterion;
proteinogenic amino acid;
tryptophan;
tryptophan zwitterion
antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
quinethazonequinethazone : A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 6 and 7 by ethyl, sulfamoyl and chloro groups respectively; a thiazide-like diuretic used to treat hypertension.

quinethazone: RN given for cpd without isomeric designation
quinazolinesantihypertensive agent;
diuretic
n,n'-diphenyl-4-phenylenediamineN,N'-diphenyl-1,4-phenylenediamine : An N-substituted diamine that is 1,4-phenylenediamine in which one hydrogen from each amino group is replaced by a phenyl group.

N,N'-diphenyl-4-phenylenediamine: in veterinary medicine, has been used to prevent vitamin E deficiency in lambs; structure
N-substituted diamine;
secondary amino compound
antioxidant
argininearginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.

Arginine: An essential amino acid that is physiologically active in the L-form.
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
carbon disulfideCarbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects.one-carbon compound;
organosulfur compound
triamcinolone acetonidetriamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.

Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
bromcresol greenBromcresol Green: An indicator and reagent. It has been used in serum albumin determinations and as a pH indicator.benzofurans
hexachlorocyclopentadiene
tabuntabun: proposed as military nerve gas and exptl cholinesterase inhibitor; extremely poisonous; structure
quinic acid(-)-quinic acid : The (-)-enantiomer of quinic acid.
triparanolTriparanol: Antilipemic agent with high ophthalmic toxicity. According to Merck Index, 11th ed, the compound was withdrawn from the market in 1962 because of its association with the formation of irreversible cataracts.stilbenoidanticoronaviral agent
tris(2-butoxyethyl) phosphatetris(2-butoxyethyl) phosphate : A trialkyl phosphate in which the alkyl group specified is 2-butoxyethyl.

tris(2-butoxyethyl) phosphate: inhibitor of drug-protein binding; present in stoppers of blood sample 'vacutainers'
trialkyl phosphateenvironmental contaminant;
flame retardant
tetrabromobisphenol a3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.

tetrabromobisphenol A: a brominated flame retardant
brominated flame retardant;
bromobisphenol
1,4-dihydroxyanthraquinone1,4-dihydroxyanthraquinone: structure given in first source

quinizarin : A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups
dihydroxyanthraquinonedye
1-amino-2-methylanthraquinoneanthraquinone
acenaphthenequinoneacenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene.orthoquinoneschain carrier;
epitope
quinophthalonequinoline yellow : A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2.

quinophthalone: found in hair preparations; causes contact dermatitis
aromatic ketone;
beta-diketone;
quinolines
dye
pindonepindone: RN given refers to parent cpd; structurebeta-triketone;
indanones
methylprednisolone6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.

Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
lawsonelawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis.

lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye
rotenoneDerris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.

rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.
organic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
syrosingopinesyrosingopine: was heading 1963-94; SYRINGOPINE was see SYROSINGOPINE 1977-94; use RESERPINE to search SYROSINGOPINE 1966-94yohimban alkaloid
2-methylanthraquinone2-methylanthraquinone : An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group.

2-methylanthraquinone: form Morinda officinalis How.
anthraquinone
2,6-dihydroxyanthraquinone2,6-dihydroxyanthraquinone: structure given in first source

anthraflavic acid : A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10.
dihydroxyanthraquinoneantimutagen;
plant metabolite
santowhite powder4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source
brompheniraminebrompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.

Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.
organobromine compound;
pyridines
anti-allergic agent;
H1-receptor antagonist
salicylanilidesalicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.

salicylanilide: RN given refers to parent cpd
benzanilide fungicide;
salicylamides;
salicylanilides
5-bromoisatinindolesanticoronaviral agent
thiophene-3-carboxylic acidthiophene-3-carboxylic acid: structure in first source
2,2'-methylenebis(ethyl-6-tert-butylphenol)
anthranilamidesubstituted aniline
dinoseb2-(butan-2-yl)-4,6-dinitrophenol : A dinitrophenol that is 2,4-dinitrophenol substituted by a butan-2-yl group at position 2.

dinoseb : A racemate composed of equimolar amounts of (R)- and (S)-dinoseb.

dinoseb: RN given refers to parent cpd; structure
dinitrophenol
salicylaldehydeo-hydroxybenzaldehyde: structure in first sourcehydroxybenzaldehydenematicide;
plant metabolite
1-naphthol1-naphthol : A naphthol carrying a hydroxy group at position 1.

1-naphthol: RN given refers to parent cpd

hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.
naphtholgenotoxin;
human xenobiotic metabolite
xanthonexanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.xanthonesinsecticide
michler's ketonebenzophenones
veratroledimethoxybenzene : Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.

veratrole : A dimethoxybenzene with the methoxy groups at ortho-positions.

veratrole: structure
dimethoxybenzeneplant metabolite
quinolineazaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
uvitex swnUvitex SWN: optical brightner from Ciba; structure7-aminocoumarinsfluorochrome
isatintribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;indoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
3,3'-dichlorobenzidine3,3'-Dichlorobenzidine: A material used in the manufacture of azo dyes that is toxic to skin and carcinogenic in several species.biphenyls;
monochlorobenzenes;
organochlorine compound
dehydrothio-4-toluidinedehydrothio-4-toluidine: structure in first source
phenidonephenidone: photographic developer; RN given refers to parent cpd; structure
4-phenylphenol4-phenylphenol: RN given refers to cpd without isomeric designation

biphenyl-4-ol : A member of the class of hydroxybiphenyls that is biphenyl carrying a hydroxy group at position 4.
hydroxybiphenyls
phenothiazine10H-phenothiazine : The 10H-tautomer of phenothiazine.phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
benzidinebenzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.

benzidine: RN given refers to parent cpd
biphenyls;
substituted aniline
carcinogenic agent
4,4'-dihydroxybiphenylbiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.hydroxybiphenyls
n,n-diethyl 4-phenylenediamineN,N-diethyl 4-phenylenediamine: RN given refers to parent cpd
veratric acid3,4-dimethoxybenzoic acid : A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3.

veratric acid: RN given refers to parent cpd; structure
benzoic acidsallergen;
plant metabolite
propylparabenParabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)benzoate ester;
paraben;
phenols
antifungal agent;
antimicrobial agent
isocaine
benzylparabenbenzoate ester;
benzyl ester
butylparabenorganic molecular entity
bis(1-piperidylthiocarbonyl)disulfidebis(1-piperidylthiocarbonyl)disulfide: indicator for analysis of copper; structure
benzotriazolebenzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.

benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid
benzotriazolesenvironmental contaminant;
xenobiotic
thiohexamthiohexam: rubber cure accelerator
2-xylene2-xylene: RN given refers to parent cpd

o-xylene : A xylene substituted by methyl groups at positions 1 and 2.
xylene
1,2-diaminobenzene1,2-diaminobenzene: RN given refers to parent cpd

1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other.
phenylenediaminehydrogen donor
2-methyl-1,4-hydroquinone2-methyl-1,4-hydroquinone: structure given in first source

toluquinol : A member of the class of hydroquinones that is hydroquinone in which one of the benzene hydrogens has been replaced by a methyl group.
hydroquinonesangiogenesis inhibitor;
anti-inflammatory agent;
Penicillium metabolite
4-chloro-1,2-diaminobenzene4-chloro-1,2-diaminobenzene: RN given refers to parent cpdmonochlorobenzenes
2-amino-4-methylphenol2-amino-4-methylphenol: structure in first source
2,4,5-trichlorophenol2,4,5-trichlorophenol : A trichlorophenol carrying chloro groups at positions 2, 4 and 5.

2,4,5-trichlorophenol: RN given refers to parent cpd; structure
trichlorophenol
4,4'-thiobis(6-tert-butyl-3-cresol)4,4'-thiobis(6-tert-butyl-3-cresol): structure given in first source
fentichlorfentichlor: structure

fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.
aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol
antiinfective agent;
drug allergen
1,3-ditolylguanidine1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the braintoluenes
o-aminoazotolueneo-Aminoazotoluene: An azo dye with carcinogenic properties.
tetramethylthiuram monosulfide
benzenearsonic acidbenzenearsonic acid: RN given refers to parent cpd; structurearsonic acids;
organoarsonic acid
benzenesulfonamidesulfonamide
p-tert-butyl catechol
butylphen4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4.

butylphen: irritant; structure
phenolsallergen
n,n-dimethylcyclohexylamineN,N-dimethylcyclohexylamine : A tertiary amine consisting of cyclohexane having a dimethylamino substituent.

N,N-dimethylcyclohexylamine: RN given refers to parent cpd
tertiary amine
3-nitrotoluenemononitrotoluene
adrenaloneadrenalone: RN given refers to parent cpdaromatic ketone
4-bromophenacyl bromide4-bromophenacyl bromide: phospholipidase A(2) inhibitor; structure
dimethyl-4-phenylenediaminedimethyl-4-phenylenediamine: RN given refers to parent cpd; structurediamine;
substituted aniline
4-nitrotoluene4-nitrotoluene : A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.

4-nitrotoluene: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6470

mononitrotoluene : A nitrotoluene bearing a single nitro substituent at any position. A "closed class".
mononitrotoluene
4-nitroanilinenitroanilinebacterial xenobiotic metabolite
4-nitrobenzyl chloride4-nitrobenzyl chloride: structure given in first source

p-nitrobenzyl chloride : A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group.
benzyl chlorides;
C-nitro compound
mutagen
phenylmercuric chloride
anisoleanisole : A monomethoxybenzene that is benzene substituted by a methoxy group.monomethoxybenzeneplant metabolite
methylenebis(chloroaniline)4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge.

Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.
chloroanilinemetabolite
triclocarbantriclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.

triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure
dichlorobenzene;
monochlorobenzenes;
phenylureas
antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
pyridostigmine bromidePyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants.pyridinium salt
barbanbarban : A carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community.

barban: selective herbicide for wild oats; structure
acetylenic compound;
carbamate ester;
monochlorobenzenes
herbicide
n-isopropyl-n-phenyl-4-phenylenediamineN-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group.N-substituted diamineallergen;
antioxidant
diphenylguanidine1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry.

diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd
guanidinesallergen
monobenzonemonobenzone : The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation.

monobenzone: structure
benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor
4-methyl anisolemethoxybenzenes
citronellyl formatecitronellyl formate: a volatile oil from Pelargonium graveoleuscarboxylic ester
4-xylenep-xylene : A xylene with methyl groups at positions 1 and 4.xylene
4-toluidine4-toluidine: RN given refers to parent cpd

p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group.
aminotoluene
4-phenylenediamine1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.

4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd
phenylenediamineallergen;
dye;
hapten;
reagent
3-xylenem-xylene : A xylene carrying methyl groups at positions 1 and 3.xylene
2-aminopyrimidineaminopyrimidine : A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.

pyrimidin-2-amine : An aminopyrimidine carrying an amino group at position 2.
aminopyrimidine
diethylenetriaminediethylenetriamine: RN given refers to parent cpdpolyazaalkane;
triamine
diethanolaminediethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.

diethanolamine: RN given refers to parent cpd
ethanolamineshuman xenobiotic metabolite
ergotamineergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.

Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.
peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
neostigmine bromideneostigmine bromide : The bromide salt of neostigmine.bromide salt
bromphenol bluebromophenol blue : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3,5-dibromo-4-hydroxyphenyl groups. It is used as a laboratory indicator, changing from yellow below pH 3 to purple at pH 4.6, and as a size marker for monitoring the progress of agarose gel and polyacrylamide gel electrophoresis. It has also been used as an industrial dye.

Bromphenol Blue: A dye that has been used as an industrial dye, a laboratory indicator, and a biological stain.
2,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone
acid-base indicator;
dye;
two-colour indicator
linalyl acetate3,7-dimethylocta-1,6-dien-3-yl acetate : A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender.

linalyl acetate : A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.

linalyl acetate: structure in first source; RN refers to cpd without isomeric designation
acetate ester;
monoterpenoid
edrophonium chlorideedrophonium chloride : The chloride salt of edrophonium. A reversible inhibitor of cholinesterase with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes), it is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals.chloride salt;
quaternary ammonium salt
antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
1-amino-4-hydroxyanthraquinone
2-aminoanthraquinoneanthraquinone
dichlonedichlone: structure
chloranilChloranil: A quinone fungicide used for treatment of seeds and foliage.

tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.
1,4-benzoquinones;
organochlorine compound
EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
framycetinframycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.

Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed)
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
1-hydroxyphthalazine1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5phthalazines
2,2'-methylenebis(4-methyl-6-tert-butylphenol)diarylmethane
benzoinbenzoins;
secondary alpha-hydroxy ketone
EC 3.1.1.1 (carboxylesterase) inhibitor
dianisidineDianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes.biphenyls
2-tolidine2-tolidine: RN given refers to parent cpd; structurebiphenyls
dibenzoylmethanedibenzoylmethane : A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects.aromatic ketone;
beta-diketone
antimutagen;
antineoplastic agent;
metabolite
dibenzothiazyl disulfidedibenzothiazol-2-yl disulfide : An organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry.

dibenzothiazyl disulfide: vulcanizing accelerant
benzothiazoles;
organic disulfide
allergen
benzethonium chloridebenzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.aromatic ether;
chloride salt;
quaternary ammonium salt
antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
sulfan bluesulfan blue: widely used to visualize lymph vessels for lymphography; structureorganic molecular entity
suramin sodiumsuramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness.organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
pyrazolanthroneanthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.

pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source
anthrapyrazole;
aromatic ketone;
cyclic ketone
antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
1,4-naphthoquinone1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.

naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.
1,4-naphthoquinones
deserpidinedeserpidine: minor descriptor (66-84); on-line search RESERPINE/AA (75-84), RESERPINE (66-74); Index Medicus search RESERPINE/AA (75-84), YOHIMBANS (69-74), RESERPINE (66-68); RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomeralkaloid ester;
benzoate ester;
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
captancaptan : A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.

Captan: One of the phthalimide fungicides.
isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide
antifungal agrochemical
folpetfolpet : A member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s.organochlorine compound;
organosulfur compound;
phthalimide fungicide
antifungal agrochemical
phenyl 4-aminosalicylatecarbonyl compound
2-Phenylethyl 2-aminobenzoatebenzoate ester
menthyl anthranilatementhyl anthranilate: structure in first sourcemonoterpenoid
benzilbenzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively.

benzil: structure
alpha-diketone;
aromatic ketone
neozoneN-phenyl-2-naphthalenamine: structure in first sourcenaphthalenes
1,3-diphenyl-1-triazene1,3-diphenyl-1-triazene: structure in first source
phenazopyridine hydrochloridephenazopyridine hydrochloride : A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
malic acid, disodium saltdisodium malate : A racemate comprising equimolar amounts of (R)- and (S)-disodium malate.
4-nitrosodimethylaniline4-nitrosodimethylaniline: structure; RN given refers to parent cpd

N,N-dimethyl-4-nitrosoaniline : A member of the class of dimethylanilines that is N,N-dimethylaniline having a nitroso group at the 4-position.
dimethylaniline;
nitroso compound;
tertiary amino compound
zephiramine
aminoethylpiperazineaminoethylpiperazine: RN given refers to parent cpd with specified locant
4'-(chloroacetyl)acetanilide4'-(chloroacetyl)acetanilide : An alpha-chloroketone that is acetanilide in the para- position is substituted by a chloroacetyl group.acetamides;
alpha-chloroketone;
aromatic ketone
pentamidine isethionatepentamidine isethionate : An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid.organosulfonate salttrypanocidal drug
4-tert-octylphenol4-tert-octylphenol: structure given in first sourcealkylbenzene
sterogenolcetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.

hexadecylpyridinium bromide: structure in first source
bromide salt;
pyridinium salt
antiseptic drug;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
surfactant
ethyl acetateethyl acetate : The acetate ester formed between acetic acid and ethanol.acetate ester;
ethyl ester;
volatile organic compound
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
yohimbineyohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.

Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.
methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
2-chloroadenosine5-chloroformycin A: structure given in first sourcepurine nucleoside
diphenhydramine hydrochlorideAntitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.

diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.
hydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
cycloguanilcycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.

cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source
triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
D-tryptophanD-alpha-amino acid;
tryptophan;
tryptophan zwitterion
bacterial metabolite
catechin(+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.

catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.

Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.

rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin
catechinantioxidant;
plant metabolite
benzo(e)pyrenebenzo(e)pyrene: RN given refers to parent cpd

benzo[e]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC.
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
benzo(b)fluoranthenebenzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring.ortho- and peri-fused polycyclic arenemutagen
chrysenechrysene : An ortho-fused polycyclic arene found commonly in the coal tar.

chrysene: structure in Merck Index, 9th ed, #2252
ortho-fused polycyclic areneplant metabolite
quinazolinesquinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.

quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.

Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
acridinesacridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.

Acridines: Compounds that include the structure of acridine.
acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene
genotoxin
indazolesIndazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.indazole
ronnelronnel: FENCHLORPHOS was heading 1972-95 (Prov 1972-73); RONNEL was see FENCHLORPHOS 1975-95; use FENCHLORPHOS (NM) to search FENCHLORPHOS 1972-95organic thiophosphate
thiocyanatethiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.

thiocyanate: RN given refers to parent cpd
pseudohalide anion;
sulfur molecular entity
human metabolite
edrophonium bromide
hydralazine hydrochloridehydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.hydrochlorideantihypertensive agent;
vasodilator agent
ethamivanetamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.

ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86)
methoxybenzenes;
phenols
disophenoldisophenol: structure4-nitrophenols
paraoxonaryl dialkyl phosphate;
organophosphate insecticide
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
evans blueEvans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.

Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.
organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
opipramolOpipramol: A tricyclic antidepressant with actions similar to AMITRIPTYLINE.dibenzoazepine
azacitidine5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.

Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.
N-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent
fluocinonideFluocinonide: A topical glucocorticoid used in the treatment of ECZEMA.organic molecular entity
galantamineGalantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.

galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.
benzazepine alkaloid;
benzazepine alkaloid fundamental parent;
organic heterotetracyclic compound;
tertiary amino compound
antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
bucladesine3',5'-cyclic purine nucleotide;
butanamides;
butyrate ester
agonist;
cardiotonic drug;
vasodilator agent
thymidine monophosphatedTMP : The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate).

Thymidine Monophosphate: 5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.
thymidine 5'-monophosphatefundamental metabolite
cloflucarbancloflucarban: structure

halocarban : A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties.
monochlorobenzenes;
phenylureas
antibacterial agent
4-fluoroaniline4-fluoroaniline : A primary arylamine that is the derivative of aniline in which the hydrogen at position 4 has been substituted by fluorine. It is used as an intermediate in the manufacture of pharmaceuticals, herbicides and plant growth regulators.

4-fluoroaniline: chemical intermediate manufactured by the Halex process; RN given refers to parent cpd; structure given in first source
fluoroaniline;
primary arylamine
citrullinecitrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.amino acid zwitterion;
citrulline
Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
triphenyltin fluoridetriphenyltin fluoride: induces hypertriglyceridemia in rabbits
prenylaminePrenylamine: A drug formerly used in the treatment of angina pectoris but superseded by less hazardous drugs. Prenylamine depletes myocardial catecholamine stores and has some calcium channel blocking activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1406)diarylmethane
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromideBenzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide: Proposed cholinesterase inhibitor.
5-methylpyrazole-3-carboxylic acid5-methyl-pyrazole-3-carboxylic acid : A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively.

5-methylpyrazole-3-carboxylic acid: structure
monocarboxylic acid;
pyrazoles
metabolite
cyproterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester
androgen antagonist;
geroprotector;
progestin
lithocholic acidlithocholate : A bile acid anion that is the conjugate base of lithocholic acid.

lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.

Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.
bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid
geroprotector;
human metabolite;
mouse metabolite
2-aminopurine2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.

2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).

aminopurine : Any purine having at least one amino substituent.
2-aminopurines;
nucleobase analogue
antimetabolite
hydantoinsHydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.

imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.
imidazolidine-2,4-dione
glycyrrhetinic acidcyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
immunomodulator;
plant metabolite
naphthazarinnaphthazarin : A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups.

naphthazarin: fish toxin; isolated for first time from the walnut onigurmi, Juglans mandshurica maxim var. Sieboldiana Makino; structure
hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
rheindihydroxyanthraquinone
indirubin
lucanthonelucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.

Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46)
thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
plumbaginplumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.

plumbagin: a superoxide anion generator
hydroxy-1,4-naphthoquinone;
phenols
anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
indigohydroxyindoles
emetineemetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.

Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.
isoquinoline alkaloid;
pyridoisoquinoline
antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
kokusagininekokusaginine: antimalarial alkaloid from Teclea afzelii; structure in first sourceorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
ostholosthol: from Cnidium monnieri and Angelica pubescens (both Apiaceae); structure given in first sourcebotanical anti-fungal agent;
coumarins
metabolite
9-phenanthrol9-phenanthrol : A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group.

9-phenanthrol: an inhibitor of AMP-dependent protein kinase catalytic subunit; structure in first source
phenanthrolTRPM4 channel inhibitor
ninhydrinninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2.

Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.
aromatic ketone;
beta-diketone;
indanones;
ketone hydrate
colour indicator;
human metabolite
9-fluorenonefluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9.fluoren-9-onesfungal xenobiotic metabolite
vasicinonevasicinone: isolated from Adhatoda vasica; structure given in first source
methyl redmethyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group.

methyl red: RN given refers to parent cpd; structure
benzohydroxamic acid
fenazoxcis-azoxybenzene : An azoxybenzene with a cis-configuration.

fenazox: RN given refers to parent cpd without isomeric designation; structure given in first source

trans-azoxybenzene : An azoxybenzene with a trans-configuration.
azoxy compound
3,4-toluenediamine3,4-toluenediamine: structure
sodium carbonatesodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structurecarbonate salt;
organic sodium salt
carvacrolcarvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1).botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols
agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
2,4-pyridinedicarboxylic acidlutidinic acid : A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4.pyridinedicarboxylic acid
chlorazanildiamino-1,3,5-triazine
1,3-cyclohexanedione1,3-cyclohexanedione: structure

cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3.
beta-diketone;
cyclohexanedione
alpha-aminopyridinealpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485

aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
chlorobenzilatechlorobenzilate: structurediarylmethane
dihydroergotaminedihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.

Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.
ergot alkaloid;
semisynthetic derivative
dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
podophyllotoxinPodophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.furonaphthodioxole;
lignan;
organic heterotetracyclic compound
antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
dequalinium chloridedequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
dibromsalicildibromsalicil: brominated salicyclic acid deriv; antiplaque antiseptic
1,2-naphthoquinone1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles.

naphthalene-1,2-dione: structure given in first source
1,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
flavoneflavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2.

flavone: RN given refers to unlabeled cpd; structure given in first source
flavonesmetabolite;
nematicide
syringic acidsyringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.

syringic acid: RN given refers to parent cpd; structure in third source
benzoic acids;
dimethoxybenzene;
phenols
plant metabolite
herniarinherniarin : A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.

herniarin: methoxy analog of umbelliferone; structure
coumarinsfluorochrome
coumarin-3-carboxylic acidcoumarin-3-carboxylic acid: structure given in first sourcecoumarins
chrysoidinechrysoidine: RN given refers to parent cpd; structure
chlormethiazoleChlormethiazole: A sedative and anticonvulsant often used in the treatment of alcohol withdrawal. Chlormethiazole has also been proposed as a neuroprotective agent. The mechanism of its therapeutic activity is not entirely clear, but it does potentiate GAMMA-AMINOBUTYRIC ACID receptors response and it may also affect glycine receptors.thiazoles
dazometdazomet : A dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide.

dazomet: fumigant for poultry litter & eggs to control salmonella; structure
dithiocarbamic ester;
thiadiazinane
antibacterial agent;
antifungal agrochemical;
herbicide;
nematicide
1,3-dichloroacetone1,3-dichloroacetone : A ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis.ketone;
organochlorine compound
4,6-dinitro-o-cresol4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.

4,6-dinitro-o-cresol: RN given refers to parent cpd; structure
dinitrophenol acaricide;
hydroxytoluene;
nitrotoluene
dinitrophenol insecticide;
fungicide;
herbicide
evernic acidevernic acid: RN given refers to parent cpdcarbonyl compound
nitrophenidenitrophenide: Structure in first source
4,4'-diaminoazobenzene4,4'-diaminoazobenzene : Azobenzene substituted at each of the phenyl 4-positions by an amino group.
domiphen bromidearomatic ether
decamethonium dibromide
maleimidedicarboximide;
maleimides
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
gentian violetcrystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.

Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.
organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
amitriptyline hydrochlorideorganic tricyclic compound
jkl 1073a8-oxoberberine: structure given in first source
1-naphthylisothiocyanate1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage.isothiocyanateinsecticide
thallium acetatethallium acetate: RN given refers to Tl(+1) salt

thallium(I) acetate : An acetate salt comprising equal numbers of acetate and thallium ions.
acetate salt;
thallium molecular entity
apoptosis inducer;
neurotoxin
congo redCongo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0.

Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.
bis(azo) compound
1,2-dihydroxynaphthalene1,2-dihydroxynaphthalene: RN given refers to parent cpdnaphthalenediolmouse metabolite
1-acetylisatin1-acetylisatin: structure in first sourceindoledione
1-phenyl-1,2-propanedione1-phenyl-1,2-propanedione : An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.

1-phenyl-1,2-propanedione: an oxoglutarate carrier antagonist
alpha-diketone;
aromatic ketone
plant metabolite
isoxsuprine hydrochloridealkylbenzene
1,2-Dihydroquinolin-2-imineaminoquinoline
2-methylcyclohexanone2-methylcyclohexanone : A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2.

2-methylcyclohexanone: structure in first source
cyclohexanonesflavouring agent;
plant metabolite
succinimidesuccinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5.

succinimide: RN given refers to parent cpd
dicarboximide;
pyrrolidinone
2-chloroacetanilide
allyl sulfideallyl sulfide: essence of garlic; inhibits CYP2E1organic sulfide
megestrol acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester
antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
2-bromopropionic acid, (dl)-isomer2-bromopropionic acid: RN given refers to cpd without isomeric designation
2,3-pentanedionepentane-2,3-dione : An alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups.alpha-diketone;
methyl ketone
flavouring agent
alpha-naphthoflavonealpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).

alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound
aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
toyocamycintoyocamycin : An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group.

Toyocamycin: 4-Amino-5-cyano-7-(D-ribofuranosyl)-7H- pyrrolo(2,3-d)pyrimidine. Antibiotic antimetabolite isolated from Streptomyces toyocaensis cultures. It is an analog of adenosine, blocks RNA synthesis and ribosome function, and is used mainly as a tool in biochemistry.
antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
nitrile;
ribonucleoside
antimetabolite;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
5-methylisatin5-methylisatin: structure in first source
pentabromophenol
3,4,5-trichlorophenol
2,3,4-Trihydroxybenzoic acidhydroxybenzoic acid
2-anthramine2-anthramine: structureanthracenamine
1-methyluracil1-methyluracil : A pyrimidone that is uracil with a methyl group substituent at position 1.

1-methyluracil: RN given refers to parent cpd; structure
nucleobase analogue;
pyrimidone
metabolite
acetylcysteineN-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid
antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
4-Ethoxyphenolaromatic ether;
phenols
dimethyl disulfideorganic disulfidexenobiotic metabolite
c.i. 42510basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts

rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.

Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.
brilliant greenbrilliant green : An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion.

brilliant green: RN given refers to sulfate; structure in Merck Index, 9th ed, #1378
organic hydrogensulfate saltantibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison
Berberine chloride (TN)organic molecular entity
tridecanoic acidtridecanoate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of tridecanoic acid.

tridecanoic acid : A C13 straight-chain saturated fatty acid.
long-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite
erythromycinerythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).

erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.

Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.
cyclic ketone;
erythromycin
2'-deoxy-5'-adenosine monophosphate2'-deoxy-5'-adenosine monophosphate: RN given refers to parent cpd

2'-deoxyadenosine 5'-monophosphate : A purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase.
2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-monophosphate
fundamental metabolite
gamma-thujaplicin2-hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone: a metal chelating agentcyclic ketone
dibutyldichlorotin
phenylphosphatephenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.

phenylphosphate: structure given in first source
aryl phosphatemouse metabolite
1,2-cyclohexanedionecyclohexane-1,2-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 2.

cyclohexanedione : Cyclohexanones carrying two oxo substituents.
cyclohexanedione
4-cyanophenol4-cyanophenol: reversible monoamine oxidase inhibitorphenolsEC 1.4.3.4 (monoamine oxidase) inhibitor
indole-3-acetic acid ethyl esterindole-3-acetic acids
n-(1,3-dimethylbutyl)-n'-phenyl-1,4-phenylenediamineN-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine: antiozonant
levonorgestrelLevonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis.17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound
contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
2,6-diaminotoluene2,6-diaminotoluene : A diamine that is toluene in which both of the hydrogens ortho- to the methyl group are replaced by amino groups.

2,6-diaminotoluene: RN given refers to parent cpd
diamine;
primary amino compound
mutagen
tetrachloronitrobenzene
dodecylaminedodecylamine: RN given refers to parent cpdprimary aliphatic amine
3-methoxycatechol3-methoxycatechol : A member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35).aromatic ether;
catechols
G-protein-coupled receptor agonist
3-hydroxy-1-benzopyran-2-one3-hydroxycoumarin: Photoprotective from sea urchin gametes and embryonic cells; structure in first source

hydroxycoumarin : Any coumarin carrying at least one hydroxy substituent.
hydroxycoumarin
n-phenylmaleimideN-phenylmaleimide: structure in Merck Index, 9th ed, #7104
2-phenylindolealpha-phenylindole: RN given refers to parent cpdphenylindole
azure aazure A : An organic chloride salt having 3-amino-7-(dimethylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining.

Azure A: RN given refers to chloride
ethylestrenolethylestrenol : A 17beta-hydroxy steroid that is estrane containing a double bond between positions 4 and 5 and substituted by an ethyl group and a hydroxy group at the 17alpha and 17beta positions, respectively. It is an anabolic steroid that has little androgenic effect and only slight progestational activity. It has been used to promote growth in boys with delayed bone growth.

Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect.
17beta-hydroxy steroid;
tertiary alcohol
anabolic agent
dinobutondinobuton: Russian drug; structureC-nitro compound
rhodamine 6grhodamine 6G: RN given refers to HCl
methylphosphonic acidmethylphosphonic acid : A one-carbon compound that is phosphonic acid in which the hydrogen attached to the phosphorus is substituted by a methyl group.one-carbon compound;
phosphonic acids
chlormequatchlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants.

Chlormequat: A plant growth regulator that is commonly used on ornamental plants.
quaternary ammonium ionplant growth retardant
adenosine 5'-tetraphosphateadenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase.adenosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
phenylglyoxalphenylacetaldehydes
dichlofluaniddichlofluanid : A member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitrogen are replaced by a phenyl and a [dichloro(fluoro)methyl]sulfanediyl group. A fungicide introduced in 1965 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union.

dichlofluanid: structure
organochlorine compound;
organofluorine compound;
phenylsulfamide fungicide;
sulfamides
acaricide;
antifungal agrochemical
nicotinamide mononucleotideNicotinamide Mononucleotide: 3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN.nicotinamide mononucleotideEscherichia coli metabolite;
mouse metabolite
dodecyltrimethylammonium bromidedodecyltrimethylammonium bromide : A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.bromide salt;
quaternary ammonium salt
surfactant
tetradecyltrimethylammonium bromideorganic molecular entity
lauryl gallategallate ester
1,8-octanedithiolalkanethiol
2-amino-7-nitrofluorene2-amino-7-nitrofluorene: structure in first source
furazabolfurazabol: structuresteroid
dehydroepiandrosterone acetate3beta-acetoxyandrost-5-en-17-one: structure in first sourcesteroid ester
ethidium bromideorganic bromide saltgeroprotector;
intercalator;
trypanocidal drug
carmineCarmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker.
tribromsalantribromosalicylanilide : A salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety.

tribromsalan: germicide; structure
salicylanilides
hydrofluoric acidHydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.

hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.

organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond.
hydrogen halide;
mononuclear parent hydride
NMR chemical shift reference compound
nsc 65346sangivamycin : A nucleoside analogue that is adenosine in which the nitrogen at position 7 is replaced by a carbamoyl-substituted carbon. It is a potent inhibitor of protein kinase C.

sangivamycin: RN given refers to parent cpd
nucleoside analogueprotein kinase inhibitor
dinoterbC-nitro compound;
phenols
pregnenolone carbonitrilePregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.aliphatic nitrile
2-methyladeninemethyladenine : Any member of the class of 6-aminopurines that is adenine bearing a single methyl substituent.
n-(1-naphthyl)ethylenediamineN-(1-naphthyl)ethylenediamine : An N-substituted ethylenediamine compound having 1-naphthyl as the substituent.N-substituted diamine
win 18446WIN 18446 : A carboxamide that is 1,8-diaminooctane in which a hydrogen attached to each of the amino groups has been replaced by a dichloroacetyl group. Inhibitor of aldehyde dehydrogenase 1a2 (ALDH1a2). Inhibits the biosynthesis of retinoic acid from retinol in neonatal and adult murine testis. It down-regulates sex related genes in zebrafish.organochlorine compound;
secondary carboxamide
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
flurandrenoloneFlurandrenolone: A corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)21-hydroxy steroid
bisphenol a-glycidyl methacrylateBisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.diarylmethane
phenylphosphonic acidphenylphosphonic acid: RN given refers to parent cpd; NM same as N1benzenes
2,4-dinitrothiocyanatobenzene2,4-dinitro-1-thiocyanatobenzene : A thiocyanate compound having a 2,4-dinitrophenyl group attached to the sulfur atom.C-nitro compound;
thiocyanates
hapten;
tolerogen
daminozidedaminozide: induces tumorsstraight-chain fatty acid
2-amino-3-methylpyridine2-amino-3-methylpyridine: structure in first source
3-hydroxyphenyltrimethylammonium3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure
4-hydroxyazobenzene4-hydroxyazobenzene: structure in first source
ioxynilioxynil : A nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5.

ioxynil: RN given refers to parent cpd; structure
iodophenol;
nitrile
environmental contaminant;
herbicide;
xenobiotic
bromoxynil3,5-dibromo-4-hydroxybenzonitrile : A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.

bromoxynil: RN given refers to parent cpd; structure
dibromobenzene;
hydroxynitrile;
phenols
environmental contaminant;
herbicide;
xenobiotic
bromoxynil octanoate
2-amino-6-methoxybenzothiazole2-amino-6-methoxybenzothiazole: RN given refers to parent cpd
2-aminothiazoline2-aminothiazoline: RN given refers to parent cpd; structure in first source & in Negwer, 5th ed, #97

4,5-dihydro-1,3-thiazol-2-amine : A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole substituted by an amino group at position 2.
1,3-thiazoles;
primary amino compound
azacyclonolazacyclonol: major descriptor (65-84); on-line search PIPERIDINES (65-84); Index Medicus search AZACYCLONOL (65-84); RN given refers to parent cpddiarylmethane
4-octylphenol4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

4-octylphenol: xenoestrogen
phenolsmetabolite;
surfactant;
xenoestrogen
tetrachloroisophthalonitrilechlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.

tetrachloroisophthalonitrile: structure
aromatic fungicide;
dinitrile;
tetrachlorobenzene
antifungal agrochemical
tartrazine
orange gorange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary.
2-tert-butylhydroquinone2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.

2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent
hydroquinonesfood antioxidant
5-hydroxyindolehydroxyindoleshuman metabolite
dronabinolDelta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.

Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide
cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
methylene diphosphonatemedronic acid : A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups.1,1-bis(phosphonic acid)bone density conservation agent;
chelator
amilorideamiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.

Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705)
aromatic amine;
guanidines;
organochlorine compound;
pyrazines
diuretic;
sodium channel blocker
n-methylisatinN-methylisatin: structure given in first source
pimozidepimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.

Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403)
benzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
1,6-diaminohexane1,6-diaminohexane: Russian drug; RN given refers to parent cpd; structure

hexane-1,6-diamine : A C6 alkane-alpha,omega-diamine.
alkane-alpha,omega-diaminehuman xenobiotic metabolite
bromophosbromophos: minor descriptor (72-83); on-line & Index Medicus search ORGANOTHIOPHOSPHORUS COMPOOUNDS (72) & INSECTICIDES (72) & INSECTICIDES, ORGANOTHIOPHOSPHATE (73-83); structureorganic thiophosphate
flumethasoneFlumethasone: An anti-inflammatory glucocorticoid used in veterinary practice.11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-inflammatory drug
2,4-diacetylphloroglucinol2,4-diacetylphloroglucinol : A benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups.

2,4-diacetylphloroglucinol: produced by Pseudomonas aurantiaca
aromatic ketone;
benzenetriol;
diketone;
methyl ketone
antifungal agent;
bacterial metabolite
guanoxanguanoxan: was MH 1976-92 (see under GUANIDINES 1976-90); use GUANIDINES to search GUANOXAN 1976-92; antihypertensive agent similar in its mechanism of action to guanethidine; may cause liver damagebenzodioxine
azaribineazaribine : A N-glycosyl-1,2,4-triazine that is 6-azauridine acetylated at positions 2', 3' and 5' on the sugar ring. It is a prodrug for 6-azauridine and is used for treatment of psoriasis.

azaribine: pyrimidine analogue; anti-metabolite used in psoriasis & mycosis fungoides;
acetate ester;
N-glycosyl-1,2,4-triazine
antipsoriatic;
prodrug
phenethyl isothiocyanatephenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties.

phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
ethoxazeneazobenzenes
fast green fcfFast green FCF : An organic sodium salt having 2-{(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}-5-hydroxybenzene-1-sulfonate as the counterion. Used as a substitute for Light green SF yellowish in Masson's trichrome as it is less likely to fade, and is more brilliant in colour. Also used as a food colouring agent.

Fast Green FCF: structure
organic sodium saltfluorochrome;
food colouring;
histological dye
thioflavin tthioflavin T: RN given refers to chloride; structure

thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo.
organic chloride saltfluorochrome;
geroprotector;
histological dye
thioflavin tthioflavin T cation : A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T.benzothiazolium ion
ethyl violetethyl violet : An organic chloride salt that is the monochloride salt of ethyl violet cation. Used for inclusion in mixed dye solutions of the iron resorcin fuchsin type for demonstrating elastic fibres.

ethyl violet: RN given refers to parent cpd
organic chloride saltfluorochrome;
histological dye
dexamethasone sodium phosphatedexamethasone sodium phosphate : An organic sodium salt which is the disodium salt of dexamethasone phosphate.organic sodium saltglucocorticoid receptor agonist
2-tert-butyl-4-methylphenol2-tert-butyl-4-methylphenol: RN given refers to cpd with locants
captafolcaptafol : A dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community.

captafol: RN given refers to cpd with specified chlorine locants
isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide
antifungal agrochemical
1,4-bis(2,3-epoxypropoxy)butane
drometrizoledrometrizole: structure in first sourcetriazoles
1,3,5-triglycidyl-s-triazinetrione
butyrylcholinebutyrylcholine: RN given refers to parent cpdacylcholine
azinphos ethylorganic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
4-nitrohippuric acid4-nitrohippuric acid: major metabolite of 4-nitrobenzoic acid
2,4-dichloro-5-sulfamoylbenzoic acid2,4-dichloro-5-sulfamoylbenzoic acid: used in the manufacture of furosemide; occupational asthma and rhinitis was observed in workers from a lasamide production line
bromotriethylstannanebromotriethylstannane: not the bromide salt of triethyltin; inhibits red cell & yeast hexokinase
hydroxyphenytoin4-hydroxyphenytoin : A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.

hydroxyphenytoin: main metabolite of diphenylhydantoin; reduces Na(+) inhibition at high Na:K ratios; RN given refers to cpd without isomeric designation; structure
imidazolidine-2,4-dione;
phenols
metabolite
2-amino-2',5-dichlorobenzophenone2-amino-2',5-dichlorobenzophenone: structure given in first source
benzyl thiocyanatebenzyl thiocyanate: increases activities of anhydrotetracycline oxygenasethiocyanates
dichloroacetonitriledichloroacetonitrile: by-product of water chlorination; structure given in first sourcealiphatic nitrile
cyclohexylisocyanatecyclohexylisocyanate: degradation product of 1-(2-chloroethyl)-3-cyclohexyl- 1-nitrosourea; structureisocyanatesallergen
dibromoacetonitriledibromoacetonitrile: by-product of water chlorination; structure given in first sourcealiphatic nitrile
dithianonedithianon : A naphthodithiin that is 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin which is substituted by nitrile groups at positions 2 and 3. It is a broad spectrum fungicide used to control scab, downy mildew, rust, and leaf spot in the commercial growing of grapes and other fruit, citrus, coffee, and vegetables.

dithianone: structure
dinitrile;
naphthodithiin;
p-quinones
antifungal agrochemical
benzolamideBenzolamide: Selective renal carbonic anhydrase inhibitor. It may also be of use in certain cases of respiratory failure.
n-(4-dimethylamino-3,5-dinitrophenyl)maleimide
palmatineburasaine: structure in first sourceberberine alkaloid;
organic heterotetracyclic compound
plant metabolite
pentaerythrityl triacrylatepentaerythrityl triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitis
9-amino-6-chloro-2-methoxyacridine
10,11-dihydrocarbamazepine
n-butylbenzenesulfonamideN-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity.

N-butylbenzenesulfonamide: a neurotoxic plasticising agent
sulfonamideneurotoxin;
plant metabolite
chlorophacinonechlorophacinone: structurebeta-triketone;
diarylmethane
2-(aminomethyl)pyridinepyridines
2-(alpha-thenoylamino)-2-nitro-5-thiazole1,3-thiazoles;
C-nitro compound
chloric acidchlorine oxoacid
carbonatescarbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.

Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed)
carbon oxoanion
Brilliant Bluebrilliant blue: coal tar derivative food dye; used as the di-NH4 or di-Na salts; RN given refers to parent cpdorganic molecular entity
flurazepam hydrochlorideAcid Blue 92: structure in first source
fuberidazolefuberidazole : A ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. A fungicide used as a seed treatment to control Fusarium spp. in cereals.

fuberidazole: fumigant; structure
benzimidazole fungicide;
benzimidazoles;
furans
antifungal agrochemical
nitroxolinenitroxoline : A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5.

nitroxoline: structure in Merck Index, 9th ed, #6475; RN given refers to parent cpd
C-nitro compound;
monohydroxyquinoline
antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent
2,2',4'-trichloroacetophenone
9-benzyladenine
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
butyrylthiocholinebutyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.

Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.
quaternary ammonium ion
fluorophenebenzamides
1,6-bismaleimidohexane
2,3,4,5-tetrachlorophenate2,3,4,5-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 5.

tetrachlorophenol : A chlorophenol that is phenol in which four of the hydrogens attached to the benzene ring are replaced by chlorines.

tetrachlorophenol: RN given refers to cpd with unspecified isomeric designation; see also record for 2,3,4,6-tetrachlorophenol
tetrachlorophenolxenobiotic metabolite
carboxincarboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment.

Carboxin: A systemic agricultural fungicide and seed treatment agent.
anilide;
anilide fungicide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide
antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
imidocarbImidocarb: One of ANTIPROTOZOAL AGENTS used especially against BABESIA in livestock. Toxicity has been reported.ureasantiprotozoal drug
mexiletine hydrochloridemexiletine hydrochloride : A hydrochloride composed of equimolar amounts of mexiletine and hydrogen chloride.hydrochlorideanti-arrhythmia drug
5-nitroindazole
u 0521U 0521: catechol methyltransferase antagonist; structureacetophenones
1-nitropyrenenitroarenecarcinogenic agent
diadenosine tetraphosphateP(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions.diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite
n-methylacridineN-methylacridine: RN given refers to acridinium parent cpd
methylene bis(thiocyanate)methylene bis(thiocyanate) : A member of the class of thiocyanates that is methane in which two of the hycrogens have been replaced by thiocyanato groups. Used as a biocide for the control of various pathogens and algae in industrial water systems and as a fungicide for the control of surface moulds and sapstain fungi on wood.thiocyanatesantibacterial agent;
fungicide
d-glutamateD-alpha-amino acid;
glutamic acid
Escherichia coli metabolite;
mouse metabolite
benzeneseleninic acidbenzeneseleninic acid: structure given in first source
terodilinediarylmethane
dimethyldodecylbenzylammoniumbenzododecinium bromide : The organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties.organic bromide salt;
quaternary ammonium salt
antiseptic drug;
disinfectant;
surfactant
6-nitroindazole
phosphoric acid, trisodium saltsodium phosphate
perchloric acidchlorine oxoacid
iodic acidiodic acid: RN given refers to parent cpdiodine oxoacidastringent
propionylpromazinepropionylpromazine: RN given refers to parent cpd
camptothecinNSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first sourcedelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
fenestrelfenestrel: synonym ORF-4563 refers to Na salt; RN given refers to parent cpdbenzenes
sodium pyrophosphatesodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt.

sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure
inorganic sodium saltchelator;
food emulsifier;
food thickening agent
isopentenyladenosineIsopentenyladenosine: N(6)-[delta(3)-isopentenyl]adenosine. Isopentenyl derivative of adenosine which is a member of the cytokinin family of plant growth regulators.

N(6)-(Delta(2)-isopentenyl)adenosine : A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.
N-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue
antineoplastic agent;
plant growth regulator;
plant metabolite
potassium nitratepotassium nitrate : The inorganic nitrate salt of potassium.

potassium nitrate: RN given refers to cpd with MF of K-HNO3; when combined with charcoal and sulfur it can form EXPLOSIVE AGENTS
inorganic nitrate salt;
potassium salt
fertilizer
sodium sulfateinorganic sodium salt
bromic acidbromine oxoacid
potassium dichromatepotassium dichromate : A potassium salt that is the dipotassium salt of dichromic acid.

Potassium Dichromate: Chromic acid (H2Cr2O7), dipotassium salt. A compound having bright orange-red crystals and used in dyeing, staining, tanning leather, as bleach, oxidizer, depolarizer for dry cells, etc. Medically it has been used externally as an astringent, antiseptic, and caustic. When taken internally, it is a corrosive poison.
potassium saltallergen;
oxidising agent;
sensitiser
nitrous acidNitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)nitrogen oxoacid
hydrazoic acidnitrogen hydride
phenmediphamphenmedipham : A carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group.

phenmedipham: minor descriptor (72-84); on-line search CARBAMATES (72-84); Index Medicus search HERBICIDES, CARBAMATE (75-84), CARBAMATES (72-75)
carbamate esterenvironmental contaminant;
herbicide;
xenobiotic
hexadimethrine bromideHexadimethrine Bromide: A synthetic polymer which agglutinates red blood cells. It is used as a heparin antagonist.
antimony trichlorideantimony trichloride : An inorganic chloride salt with formula SbCl3. It is used as a reagent for detecting vitamin A and related carotenoids, reacting with the carotenoid to form a blue complex that can be measured by colorimetry (the Carr-Price test). Solutions of antimony trichloride were formerly used for dissolving and removing horn stubs from calves and goats.antimony molecular entity;
inorganic chloride
apoptosis inducer;
colorimetric reagent;
Lewis acid
hydroiodic acidhydrogen iodide : A diatomic molecule containing covalently bonded hydrogen and iodine atoms.gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite
sodium selenitedisodium selenite : An inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio.inorganic sodium salt;
selenite salt
nutraceutical
ancitabineancitabine : An organic heterotricyclic compound resulting from the formal condensation of the oxo group of cytidine to the 2' position with loss of water to give the corresponding cyclic ether. A prodrug, it is metabolised to the antineoplastic agent cytarabine, so is used to maintain a more constant antineoplastic action.

Ancitabine: Congener of CYTARABINE that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action.
diol;
organic heterotricyclic compound
antimetabolite;
antineoplastic agent;
prodrug
carbendazimcarbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.

carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
1,6-hexanediol diacrylate
sodium selenatesodium selenate : An inorganic sodium salt having selenate as the counterion.inorganic sodium saltanticonvulsant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
fertilizer
pyrithione zinczinc coordination entity
hydrocortisone-17-butyratecortisol 17-butyrate : Cortisol esterified with butyric acid at the 17-hydroxy group.butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone
dermatologic drug;
drug allergen
tris(1,3-dichloro-2-propyl)phosphatetrialkyl phosphate
parbendazoleparbendazole: anthelmintic used against a variety of gastrointestinal parasites; minor descriptor (75-86); on-line & INDEX MEDICUS search BENZIMIDAZOLES; RN given refers to parent cpdbenzimidazoles;
carbamate ester
clioxanideclioxanide: structure
selegilineSelegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl.selegiline;
terminal acetylenic compound
geroprotector
clemastineclemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.

Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness.
monochlorobenzenes;
N-alkylpyrrolidine
anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
trimethylolpropane triacrylatetrimethylolpropane triacrylate: acrylate derivative found in ultraviolet curing inks; causes contact dermatitiscarbonyl compound
2,3,4-trichlorophenol2,3,4-trichlorophenol: structure in first source
gestrinoneGestrinone: A non-estrogenic contraceptive which is a weak progestin with strong anti-progesterone properties. It is effective if used once a week orally or can also be used in intravaginal devices.oxo steroid
tetradecanoylphorbol acetatephorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.

phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.

Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.
acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester
antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
fluorideshalide anion;
monoatomic fluorine
edifenphosedifenphos : An organic thiophosphate that is the O-ethyl-S,S-diphenyl ester of phosphorodithioic acid. Used to control a variety of fungal diseases on rice including blast, ear blight and stem rot. Edifenphos is moderately toxic to mammals and fish but poses more of a risk to aquatic invertebrates.

edifenphos: structure
organic thiophosphateantifungal agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin;
phospholipid biosynthesis inhibitor
danazolDanazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders.17beta-hydroxy steroid;
terminal acetylenic compound
anti-estrogen;
estrogen antagonist;
geroprotector
tomatinealpha-tomatine: in tomato fruits and vegetative plant tissues; structure in first sourcealkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative
antifungal agent;
immunological adjuvant;
phytotoxin
deslanosidedeslanoside : A cardenolide glycoside that is lanatoside C with the acetoxy group replaced by a hydroxy group.

Deslanoside: Deacetyllanatoside C. A cardiotonic glycoside from the leaves of Digitalis lanata.
12beta-hydroxy steroid;
14beta-hydroxy steroid;
cardenolide glycoside;
tetrasaccharide derivative
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite
metizolinemetizoline: RN given refers to parent cpd; structure1-benzothiophenes
metergolinemetergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.

Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy.
carbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
n-(cyclohexylthio)phthalimideN-(cyclohexylthio)phthalimide: water pollutant
benomylaromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator
tetraethylene glycol diacrylate
methabenzthiazuronbenzothiazoles
iodinehalide anion;
monoatomic iodine
human metabolite
daunorubicinanthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.

daunorubicin : A natural product found in Actinomadura roseola.

Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones
antineoplastic agent;
bacterial metabolite
2-(thiocyanomethylthio)benzothiazole2-(thiocyanomethylthio)benzothiazole: structure given in first source
phosphotyrosineO(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.

Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine
Escherichia coli metabolite;
immunogen
2-bromoergocryptine mesylatemethanesulfonate saltantiparkinson drug
bromocriptineBromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
fenitrothionfenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4.

Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide.
C-nitro compound;
organic thiophosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
cetalkonium chloridecetalkonium chloride: Note: Bonjela is a multimeaning drug name.
dodecylbenzene
cetylpyridinium chloride anhydrouscetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat.

tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent
chloride salt;
organic chloride salt
antiseptic drug;
surfactant
4-anisaldehyde4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696

p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.
benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
acetylacetoneacetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.beta-diketone
cetyldimethylethylammonium bromide
tetramethylolphosphonium chloridetetramethylolphosphonium chloride: Negwer,5th ed has a number for a different cpd named THPC
triamcinolonetriamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.

Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739)
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
tris(2,3-dibromopropyl)phosphatetris(2,3-dibromopropyl)phosphate: flame retardanttrialkyl phosphate
ursodeoxycholic acidursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.

Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
1,4-diaminoanthraquinone
pyrenepyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.

pyrene: structure in Merck Index, 9th ed, #7746
ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
rafoxanideRafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations.
metipranololmetipranolol : 3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma.

Metipranolol: A beta-adrenergic antagonist effective for both beta-1 and beta-2 receptors. It is used as an antiarrhythmic, antihypertensive, and antiglaucoma agent.
acetate ester;
aromatic ether;
propanolamine;
secondary amino compound
anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
proquazoneproquazone: nonsteroid anti-inflammatory agent; structurepyrimidines
silybinsilibinin : A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities.aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone
antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
benzonidazolebenznidazole : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease.

benzonidazole: used in treatment of Chagas' disease
C-nitro compound;
imidazoles;
monocarboxylic acid amide
antiprotozoal drug
mono-benzyl phthalatemonobenzyl phthalate : A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of benzyl alcohol. It is a major metabolite of the plasticiser butyl benzyl phthalate (BBP).phthalic acid monoesterxenobiotic metabolite;
xenoestrogen
8-bromo cyclic adenosine monophosphate8-Br-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.

8-Bromo Cyclic Adenosine Monophosphate: A long-acting derivative of cyclic AMP. It is an activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound
antidepressant;
protein kinase agonist
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneanthracycline
glutamic acidglutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.

Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
cambendazoleCambendazole: A nematocide effective against a variety of gastrointestinal parasites in cattle, sheep, and horses.
frentizolefrentizole: RN given refers to parent cpd
2-n-octyl-4-isothiazolin-3-oneocthilinone : A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union.1,2-thiazolesantibacterial agent;
antifungal agrochemical;
environmental contaminant;
xenobiotic
sodium azidesodium azide : The sodium salt of hydrogen azide (hydrazoic acid).

Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed)
inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
azidesazide : Any nitrogen molecular entity containing the group -N3.

Azides: Organic or inorganic compounds that contain the -N3 group.
pseudohalide anionmitochondrial respiratory-chain inhibitor
lofepramine hydrochloridehydrochlorideantidepressant
penfluridolPenfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS.diarylmethane
norflurazonenorflurazon : A pyridazinone that is pyridazin-3(2H)-one which is substituted at positions 2, 4, and 5 by m-(trifluoromethyl)phenyl, chloro, and methylamino groups, respectively. A pre-emergence herbicide used to control grasses and broad-leafed weeds in a variety of crops. Not approved for use within the European Union.

norflurazone: structure
(trifluoromethyl)benzenes;
organochlorine compound;
pyridazinone;
secondary amino compound
agrochemical;
carotenoid biosynthesis inhibitor;
herbicide
oxcarbazepineoxcarbazepine : A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy.

Oxcarbazepine: A carbamazepine derivative that acts as a voltage-gated sodium channel blocker. It is used for the treatment of PARTIAL SEIZURES with or without secondary generalization. It is also an inducer of CYTOCHROME P-450 CYP3A4.
cyclic ketone;
dibenzoazepine
anticonvulsant;
drug allergen
zidovudinezidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.

Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.
azide;
pyrimidine 2',3'-dideoxyribonucleoside
antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
7-ethoxycoumarin7-ethoxycoumarin : A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group.aromatic ether;
coumarins
paclitaxelTaxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).taxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
dobutaminedobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.

Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.
catecholamine;
secondary amine
beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
cartazolatecartazolate: structure
enilconazole1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group.

enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches.

enilconazole: RN given refers to parent cpd
dichlorobenzene;
ether;
imidazoles
wr 171,699
halofantrinehalofantrine: used in treatment of mild to moderate acute malariaphenanthrenes
butaclamol(+)-butaclamol : An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups.organic heteropentacyclic compound
ribavirinRebetron: Rebetron is tradename1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide
anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
phorbol 12,13-dibutyratePhorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
isovelleralisovelleral: structure given in first sourcealdehyde
thiocholineThiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
5-Methoxyisatinindolesanticoronaviral agent
4-hexyloxyanilinearomatic ether;
substituted aniline
guanadrelguanadrel : A spiroketal resulting from the formal condensation of the keto group of cyclohexanone with the hydroxy groups of 1-(2,3-dihydroxypropyl)guanidine. A postganglionic adrenergic blocking agent formerly used (generally as the sulfate salt) for the management of hypertension, it has been largely superseded by other drugs less likely to cause orthostatic hypotension (dizzy spells on standing up or stretching).

guanadrel: RN given refers to parent cpd; structure
guanidines;
spiroketal
adrenergic antagonist;
antihypertensive agent
methyldopaalpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.

Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
ciclopirox olamineciclopirox olamine : The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections.
5-(3-methylphenoxy)-2(1h)-pyrimidinone5-(3-methylphenoxy)-2(1H)-pyrimidinone: a Lyn kinase activator and antidiabetic agent; structure in first source
diltiazemdiltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.

Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
triadimefon1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one : A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles
lonidaminelonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.

lonidamine: structure
dichlorobenzene;
indazoles;
monocarboxylic acid
antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
ng-nitroarginine methyl esterNG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor
aminomebendazoleaminomebendazole: structure in first sourcebenzophenones
Nanaomycinbenzoisochromanequinone
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidchromanol;
monocarboxylic acid;
phenols
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
mefloquine(-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
nicardipine hydrochloridedihydropyridinegeroprotector
triadimenoltriadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts.aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
nitazoxanidenitazoxanide: a 5-nitrothiazolyl derivative used for a broad range of intestinal parasitic infections including CRYPTOSPORIDIUM and GIARDIA; it is a redox-active nitrothiazolyl-salicylamide prodrugbenzamides;
carboxylic ester
epirubicinEpirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.aminoglycoside;
anthracycline;
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
closantelclosantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.

closantel: structure

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
dinalinedinaline: structure given in first source
idarubicinIdarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
laurocapramlaurocapram: enhances percutaneous absorption of different chemicals; structure given in first source
midazolam hydrochloridemidazolam hydrochloride : The hydrochloride salt of midazolam.hydrochloride;
imidazobenzodiazepine
anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
propiconazoleOrbit: Bony cavity that holds the eyeball and its associated tissues and appendages.conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
paroxetineparoxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.

Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
triciribine phosphate
captoprilcaptopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.

Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
foscarnet sodiumtrisodium phosphonoformate : The trisodium salt of phosphonoformic acid. It is used as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.one-carbon compound;
organic sodium salt
antiviral drug
lidamidinelidamidine: synonym WHR-1142A refers to HCl; structureureas
bw-755c4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine: A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.
pergolidepergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.

Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.
diamine;
methyl sulfide;
organic heterotetracyclic compound
antiparkinson drug;
dopamine agonist
flutolanilflutolanil : A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-(trifluoromethyl)benzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control a range of pathogens especially Rhizoctonia spp. on rice, turf and other crops.(trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide
antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
colforsinColforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol
adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
bicifadinebicifadine: a nonopioid analgesic that modulates the monoaminergic pathways involved in pain
talniflumatetalniflumate: an anti-inflammatory molecule for the treatment of cystic fibrosis, chronic obstructive pulmonary disease and asthmabenzofurans
triclabendazolearomatic ether
mitoxantrone hydrochloridehydrochlorideantineoplastic agent
daurisolinedaurisoline: antiarrhythmic from Menispermun dahuricum; structure in first sourceisoquinolines
lovastatinlovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).

Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
n-(4-nitrophenacyl)imidazoleN-(4-nitrophenacyl)imidazole: structure in first source
3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone: structure given in first sourcebutenolide
enoximoneEnoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.aromatic ketone
fanetizole
azelastine hydrochlorideazelastine hydrochloride : The hydrochloride salt of azelastine.hydrochlorideanti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
simvastatinsimvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
idazoxanidazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.

Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity.
benzodioxine;
imidazolines
alpha-adrenergic antagonist
bambuterolbambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.

bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase
carbamate ester;
phenylethanolamines
anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
atomoxetineatomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.aromatic ether;
secondary amino compound;
toluenes
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
benfuracarbbenfuracarb: a procarbamate insecticide1-benzofurans;
carbamate ester;
ethyl ester
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
raloxifene hydrochlorideraloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.

Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
ilmofosineilmofosine: used in treatment of colonic adenocarcinoma in rats; structure given in first source; RN given refers to hydroxide inner salt
mifepristoneMifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
imazodanimazodan: RN & structure given in first source;
nitrogenase stabilizing-protective protein, bacteriaN-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamideandrogen antagonist;
antineoplastic agent
salmeterol xinafoateSalmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.naphthoic acid
ranolazineN-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide : An aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline.

ranolazine : A racemate comprising equal amounts of (R)- and (S)-ranolazine. Used for treatment of chronic angina.

Ranolazine: An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS.
aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
finasteridefinasteride : An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia.

Finasteride: An orally active 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE inhibitor. It is used as a surgical alternative for treatment of benign PROSTATIC HYPERPLASIA.
3-oxo steroid;
aza-steroid;
delta-lactam
androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tepoxalintepoxalin : A hydroxamic acid obtained by formal condensation of the carboxy group of 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid with the amino group of N-methylhydroxylamine. It is used in veterinary medicine for the control of pain and inflammation caused by musculoskeletal disorders such as hip dysplasia and arthritis in dogs.aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles
antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
sertindolesertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group.heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
adapaleneadapalene : A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether.

Adapalene: A naphthalene derivative that has specificity for RETINOIC ACID RECEPTORS. It is used as a DERMATOLOGIC AGENT for the treatment of ACNE.
adamantanes;
monocarboxylic acid;
naphthoic acid
dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
sparfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
zileuton1-benzothiophenes;
ureas
anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
tebufelonetebufelone: structure given in first source
succinylsulfanilamide
mibefradil dihydrochloride
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
tenidaptenidap: structure given in first source; RN refers to (Z)-isomer
temoporfintemoporfin: used as PHOTOCHEMOTHERAPY
ibutilideibutilide: RN & structure in first source; RN refers to the fumarate saltbenzenes;
organic amino compound
fananserinfananserin: RN & structure given in first sourcenaphthalenes;
sulfonic acid derivative
aripiprazolearipiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.

Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
monatepilmonatepil: structure in first source; RN refers to 1:1 maleate salt (AJ 2615)dibenzothiepine
zifrosilonezifrosilone: an acetylcholinesterase inhibitor; being developed as a possible treatment of Alzheimer's disease; structure given in first source
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
duloxetine hydrochloride(S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration.

Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA.
duloxetine hydrochlorideantidepressant
duloxetineduloxetine
irinotecancarbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
aptiganel hydrochloride
aptiganelaptiganel: NMDA receptor antagonist used to study the effects of stroke; structure given in first source; RN given refers to hydrochloridenaphthalenes
ibandronic acidIbandronic Acid: Aminobisphosphonate that is a potent inhibitor of BONE RESORPTION. It is used in the treatment of HYPERCALCEMIA associated with malignancy, for the prevention of fracture and bone complications in patients with breast cancer and bone metastases, and for the treatment and prevention of POSTMENOPAUSAL OSTEOPOROSIS.
ziprasidone hydrochlorideziprasidone hydrochloride hydrate : The hydrochloride hydrate salt of ziprasidone.hydrate;
hydrochloride
ziprasidoneziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.

ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone
1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
mk 0591MK 0591: structure given in first source; MK 0591 was previously L-686,708; inhibits leukotriene biosynthesis by inhibiting 5-lipoxygenase activating protein
saquinavir monomethanesulfonateorganic molecular entity
relcovaptanrelcovaptan: a nonpeptide vasopressin V1 receptor antagonist; structure given in first sourceproline derivative
tirofibantirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.

Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME.
L-tyrosine derivative;
piperidines;
sulfonamide
anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
adenosinequinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlitadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
phenelzine sulfateorganic molecular entity
3-methyl-1,2-cyclopentanedione3-methyl-1,2-cyclopentanedione: a peroxynitrite scavenger isolated from coffee extract; structure in first sourcecyclic ketone
sudan black bSudan black B : A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections.azobenzenes;
bis(azo) compound;
perimidines
histological dye
coomassie brilliant blue rkenacid blue: RN given refers to cpd with unknown MF
1,2-dibromo-2,4-dicyanobutane1,2-dibromo-2,4-dicyanobutane: biocide used in glue implicated in contact dermatitis; euxyl K 400 is a 2-phenoxyethanol mixture

2-bromo-2-(bromomethyl)pentanedinitrile : An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2.
aliphatic nitrile;
organobromine compound
allergen;
sensitiser
3-iodo-2-propynylbutylcarbamate3-iodo-2-propynylbutylcarbamate: RN & structure given in first source

3-iodoprop-2-yn-1-yl butylcarbamate : A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products.
acetylenic compound;
carbamate ester;
carbamate fungicide;
organoiodine compound
antifungal agrochemical;
environmental contaminant;
xenobiotic
benoxacorbenoxacor: a herbicide safener that protects corn from injury by metachlorbenzoxazine
acridine orangeacridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.

acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.

Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.
aminoacridines;
aromatic amine;
tertiary amino compound
fluorochrome;
histological dye
iberverin
benzylaminopurinebenzylaminopurine: a plant growth regulator

N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
6-aminopurinescytokinin;
plant metabolite
pentaerythritol tetraacrylate
dioctyldimethyl ammonium chloridequaternary ammonium salt
sodium persulfatesodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt
daunorubicin hydrochlorideanthracycline
paroxetine hydrochlorideparoxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug.hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
trovantrovafloxacin mesylate : A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.
verapamil hydrochlorideverapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.
sertraline hydrochloridesertraline hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.hydrochlorideantidepressant;
serotonin uptake inhibitor
dexamethasone dipropionatecorticosteroid hormone
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenolstilbenoid
efavirenzefavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.

efavirenz: HIV-1 reverse transcriptase inhibitor
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound
antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavirnelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.

Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound
antineoplastic agent;
HIV protease inhibitor
bupivacaine hydrochloride1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride : A hydrochloride obtained by combining 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide with one molar equivalent of hydrochloric acid.

bupivacaine hydrochloride (anhydrous) : A racemate composed of equimolar amounts of dextrobupivacaine hydrochloride and levobupivacaine hydrochloride. The monohydrate form is commonly used as a local anaesthetic.
hydrochloride;
racemate
adrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
norharmanbeta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.

norharman: RN given refers to parent cpd
beta-carbolines;
mancude organic heterotricyclic parent
fungal metabolite;
marine metabolite
betulinic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
platanic acidplatanic acid : A pentacyclic triterpenoid that is 30-norlupan-28-oic acid substituted by a 3beta-hydroxy and an oxo group at position 20. It is isolated from the leaves of Syzygium claviflorum and exhibits anti-HIV activity.

platanic acid: inhibits HIV replication; isolated from Syzigium claviflorum; structure in first source
hydroxy monocarboxylic acid;
methyl ketone;
pentacyclic triterpenoid
anti-HIV agent;
metabolite
plerixaforplerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.

plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound
anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
allicinbotanical anti-fungal agent;
sulfoxide
antibacterial agent
medicagenic acidmedicagenic acid: aglycone constituent of lucerne saponins, upon which their fungastatic & hemolytic activity dependstriterpenoid
diphenylcyclopropenonediphenylcyclopropenone : A cyclopropenone compound having phenyl substituents at the 2- and 3-positions.

diphenylcyclopropenone: strong contact sensitizer; a photosensitizing agent; RN given refers to parent cpd; structure given in first source
cyclopropenonedrug allergen;
hapten;
photosensitizing agent
epigallocatechin gallate(-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.

epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis)
flavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
alpha-terthienylterthiophene
gallocatechol(+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.

gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii.

gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases
gallocatechinantioxidant;
metabolite;
radical scavenger
salvinsalvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae)abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
metaperiodatePeriodic Acid: A strong oxidizing agent.iodine oxoacid
xanthyletinexanthyletine: structurecoumarins
mefloquine hydrochloridehydrochloride
proadifen hydrochloride
pralidoxime iodideorganic iodide salt;
pyridinium salt
cholinergic drug;
cholinesterase reactivator
epirubicin hydrochloride
triciribinenucleoside analogueEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
narasinditerpene glycoside
halopemidehalopemide: structure
lauryloxypropylamine
bendamustinebenzimidazoles
zatebradinebenzazepine
aloxistatinaloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.

aloxistatin: a membrane-permeable cysteine protease inhibitor
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide
anticoronaviral agent;
cathepsin B inhibitor
metrifudil
geneserinegeneserine: structure given in first sourceindoles
physodic acidphysodic acid: lichen constituentcarbonyl compound
rutecarpinerutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsulesbeta-carbolines
pifexolepifexole: structure
tedisamiltedisamil : A member of the class of diazabicyclononanes that is (1s,5s)-3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane] in which the hydrogens at positions 3 and 7 are replaced by cyclopropylmethyl groups. It is a potassium channel blocker and an antiarrhythmic agent currently currently in development for the treatment of atrial fibrillation.
lercanidipinediarylmethane
physostigmine heptylphysostigmine heptyl: RN given for (3aS-cis)-isomer; structure given in first source; possible use in therapy of Alzheimer's disease
mizolastinebenzimidazoles
cgs 9343bbenzimidazoles
terikalantterikalant: experimental class II antiarrhythmic drug; RN gioven refers to terikalant ((S-(-))-isomer)piperidines
azelnidipineazelnidipine: structure given in first sourceisopropyl ester
tolafentrinetolafentrine: a mixed-type phosphodiesterase (PDE) III/IV inhibitor
4-nitrobenzyl bromide4-nitrobenzyl bromide : A C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position.

4-nitrobenzyl bromide: structure given in first source
benzyl bromides;
C-nitro compound
allergen;
sensitiser
thioridazine hydrochloridehydrochloridefirst generation antipsychotic;
geroprotector
trifluoperazine hydrochloridehydrochloride
dioxadroldioxadrol: See also records for d- and l-forms which are referred to as dexoxadrol and levoxadrol, respectfullydiarylmethane
17 beta-estradiol hemisuccinate
hexaconazole2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol : A member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups.

hexaconazole : A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced in the 1980s, it is not approved for use within the European Union.
dichlorobenzene;
tertiary alcohol;
triazoles
chelator
toxoflavintoxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.

toxoflavin: azapteridine antibiotic; structure
carbonyl compound;
pyrimidotriazine
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
4-chlorobenzenesulfonamidesulfonamide
benzeneboronic acidboronic acids
moskenemoskene: causes allergic photocontact dermatitis; structure given in first source
4-amino-6-chloro-1,3-benzenedisulfonamide4-amino-6-chloro-1,3-benzenedisulfonamide: metabolite of hydrochlorothiazidesulfonamide
5,5'-methylenedisalicylic acid5,5'-methylenedisalicylic acid: inhibits attachment of ribosomes to microsomal membranes; RN given refers to parent cpd; structure in first source & Merck Index, 9th ed, #5934
3-methyl-n,n-diethyl-p-phenylenediamine3-methyl-N,N-diethyl-p-phenylenediamine: RN given refers to parent cpd; structure
4,4,4-trifluoro-1-phenyl-1,3-butanedione4,4,4-trifluoro-1-phenyl-1,3-butanedione: can trap reactive metabolites of carcinogens
6-methyladenine6-methyladenine : A methyladenine that is 9H-purin-6-amine substituted by a methyl group at the amino nitrogen.

6-methyladenine: structure
6-alkylaminopurine;
methyladenine
human metabolite
atranorinatranorin: RN given refers to parent cpd; structure given in first sourcecarbonyl compound
isoimperatorinisoimperatorin : A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.

isoimperatorin: tumor necrosis factor antagonist isolated from Glehniae root
psoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
alpha-furilalpha-furil: structure in first source
3,4-dimethoxytoluene3,4-dimethoxytoluene: structure given in first source
seselinseselin: structure in first sourcecoumarinsmetabolite
delphinidindelphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart.

Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.
anthocyanidin chloride
2,3-trimethylene-4-quinazolone2,3-trimethylene-4-quinazolone: structure in first sourcequinazolines
azure bazure B : An organic chloride salt having 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining and is an active metabolite of methylene blue.

Azure B: RN given refers to chloride
dyclonine hydrochloridedyclonine hydrochloride : The hydrochloride salt of dyclonine.hydrochloridetopical anaesthetic
meconinmeconin: a marker for illicit opiate use2-benzofurans
amiloride hydrochlorideamiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.hydratediuretic;
sodium channel blocker
miconazole nitratemiconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.
econazole nitrateeconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.
sertralinesertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.

Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.
dichlorobenzene;
secondary amino compound;
tetralins
antidepressant;
serotonin uptake inhibitor
oxiperomideoxiperomide: dopamine-blocking agent
sanguinarine chloride
zoledronic acidzoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.

Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.
1,1-bis(phosphonic acid);
imidazoles
bone density conservation agent
epristerideepristeride: structure given in first sourcesteroid acid
nitraquazonenitraquazone: structure given in first source
budipinebudipine: RN given refers to parent cpd; structure in Negwer, 5th ed, #6541diarylmethane
artemisinin(+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.organic peroxide;
sesquiterpene lactone
antimalarial;
plant metabolite
plasmenylserineO-phospho-L-serine : The L-enantiomer of O-phosphoserine.

O-phosphoserine : A serine derivative that is serine substituted at the oxygen atom by a phosphono group.

plasmenylserine: RN given refers to (L)-isomer
O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
brinzolamidebrinzolamide: an antiglaucoma agentsulfonamide;
thienothiazine
antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenonedrospirenone: a progestational compound with antimineralocorticoid and antiandrogenic activity; structure given in first source3-oxo-Delta(4) steroid;
steroid lactone
aldosterone antagonist;
contraceptive drug;
progestin
quinocidequinocide: Russian drug; RN given refers to parent cpd; structure
bithionol sulfoxidebithionol sulfoxide: RN given refers to parent cpd; structure
4-aminopyrimidineaminopyrimidine
4-methylquinolin-2(1H)-one4-methylquinolin-2(1H)-one : A quinolone that is quinolin-2(1H)-one substituted by a methyl group at position 4.quinolone
4-benzoylbenzoic acid4-carboxybenzophenone: a photosensitizer agent
1-methylhydantoin1-methylhydantoin: structure in first sourceimidazolidine-2,4-dionebacterial metabolite
ethyl 4-chloro-3-oxobutanoate
2,4-disulfamyl-5-trifluoromethylaniline2,4-disulfamyl-5-trifluoromethylaniline: precursor of hydroflumethiazide
2-hydroxy-4-methoxybenzaldehyde2-hydroxy-4-methoxybenzaldehyde: from African medicinal plants: Mondia whitei (Apocynaceae), Rhus vulagaris (Anacardiaceae), Sclerocarya caffra (Anacardiaceae)methoxybenzenes;
phenols
9-methyladenine9-methyladenine : Adenine substituted with a methyl group at position N-9.methyladeninemetabolite
2,6-di-tert-butyl-4-nitrophenol2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines
isoscopoletinisoscopoletin : A hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone.aromatic ether;
hydroxycoumarin
plant metabolite
1-hydroxy-2(1h)-pyridinone1-hydroxy-2(1H)-pyridinone: structure in first source
2,5-diphenylfurandiphenylfuran
1-(4-pyridyl)piperazine1-(4-pyridyl)piperazine: structure in first source
butanediol diacrylatebutanediol diacrylate: RN given is for 1,4-butanediol diacrylate; structure
glutarimidedicarboximide;
piperidones
2,3,4-trihydroxbenzophenone2,3,4-trihydroxbenzophenone : A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator.benzenetriol;
hydroxybenzophenone
drug metabolite;
EC 1.14.18.1 (tyrosinase) inhibitor;
human urinary metabolite;
quorum sensing inhibitor;
rat metabolite
2,2',2''-terpyridine2,2',2''-terpyridine: RN given refers to parent cpd

2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings.
terpyridineschelator
9-chloroacridine9-chloroacridine: chromogenic reagent for detection of arylhydroxylamines & arylamines on paper & thin layer chromatograms; structure
adrenoglomerulotropinadrenoglomerulotropin: aldosterone stimulating hormone found in extracts of pineal gland; structure
2-Methoxyxanthonexanthones
copper histidineD-alpha-amino acid;
histidine;
polar amino acid zwitterion
Saccharomyces cerevisiae metabolite
nicotinohydroxamic acidpyridinecarboxamide
6-amino-1-hydroxyhexane-1,1-diphosphonate6-amino-1-hydroxyhexane-1,1-diphosphonate: used for therapy of Paget's disease of bone & malignant hypercalcaemia1,1-bis(phosphonic acid)
nebivolol2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group.chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
cipamfyllinecipamfylline: a PDE type-4 inhibitoroxopurine
masoprocolmasoprocol : The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase.

Masoprocol: A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils.
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
amidonalindanes
premafloxacinquinolines
maprotiline hydrochlorideanthracenes
phenylalanineD-alpha-amino acid;
D-alpha-amino acid zwitterion;
phenylalanine
voriconazolevoriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.

Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.
conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug
P450 inhibitor
mexenonemexenone: structurebenzophenones
prifeloneprifelone: structure given in first sourcearomatic ketone
bufrolinbufrolin: inhibits the release of histamine; proposed for treatment of hay fever, asthma and skin allergies; minor descriptor (79-86); on line & INDEX MEDICUS search PHENANTHROLINES (79-86); RN given refers to parent cpd
sr 95191SR 95191: structure given in first source
thioxolonetioxolone : A 1,3-benzoxathiole having a hydroxy substituent at the 6-position.benzoxathioleantiseborrheic
tioxidazoletioxidazole: structurebenzothiazoles
ubenimexubenimex: growth inhibitor
3-octadecanamido-2-ethoxypropylphosphocholine3-octadecanamido-2-ethoxypropylphosphocholine: anti-HIV agent; RN & structure given in first source
epicatechin(-)-epicatechin : A catechin with (2R,3R)-configuration.catechin;
polyphenol
antioxidant
gallocatechol(-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.catechin;
flavan-3,3',4',5,5',7-hexol
antioxidant;
food component;
plant metabolite
hesperetin3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antineoplastic agent;
antioxidant;
plant metabolite
honokiolbiphenyls
chelerythrine chloride
betulinbetulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.

betulin: isolated from various white birch bark (BETULA)
diol;
pentacyclic triterpenoid
analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
lycorinelycorine : An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity.

lycorine: from bulbs of LYCORIS & other plants; RN given refers to (1 alpha,2 beta)-isomer; structure in Merck Index, 9th ed, #5444
indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
neamineneamine : 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group.

neamine: fragment of NEOMYCIN B; structure in first source
2,6-dideoxy-alpha-D-glucoside;
aminoglycoside
antibacterial agent
teleocidin b-4teleocidins: structure; RN given refers to teleocidin
leupeptinaldehyde;
tripeptide
bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
carbobenzoxyvalylphenylalanine aldehydeZ-Val-Phe-H : A dipeptide resulting from the formal condensation of the carboxy group of N-benzyloxycarbonyl-L-valine with the amino group of L-phenylalanine aldehyde. It is a potent cell-permeable inhibitor of calpain I and II, and is also a gamma-secretase inhibitor.aldehyde;
carbamate ester;
dipeptide
antileishmanial agent;
apoptosis inhibitor;
EC 3.4.22.52 (calpain-1) inhibitor;
EC 3.4.22.53 (calpain-2) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor
picropodophyllinpicropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity

picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents.
furonaphthodioxole;
lignan;
organic heterotetracyclic compound
antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
grepafloxacingrepafloxacin: structure in first sourcefluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
oleandomycinoleandomycins
puupehenone
methyl fluorone blackmethyl fluorone black: structure
2-acetylamino-3-chloro-1,4-naphthoquinone2-acetylamino-3-chloro-1,4-naphthoquinone: structure in first source
1,10-phenanthroline-5,6-dione1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source
1-aminohydantoin1-aminohydantoin: a metabolite of nitrofurantoinimidazolidine-2,4-dione
methanesulfonamide
2-aminobenzenesulfonamidebenzenes;
sulfonamide
vexibinolsophoraflavanone G : A tetrahydroxyflavanone having a structure of naringenin bearing an additional hydroxyl substituent at position 2' as well as a (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl (lavandulyl) substituent at position 8'.

vexibinol: flavanol from Sophora; structure in first source; RN given refers to (S-(R*,S*))-isomer
(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone
antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite
tosyllysine chloromethyl ketone
tosyllysine chloromethyl ketoneTosyllysine Chloromethyl Ketone: An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process.sulfonic acid derivative
rebeccamycinrebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.

rebeccamycin: from actinomycete strain C-38,383; structure given in first source
indolocarbazole;
N-glycosyl compound;
organic heterohexacyclic compound;
organochlorine compound
beta-amyrinbeta-amyrin : A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants.

beta-amyrin: alpha-amyrin is also available; a 5 ring triterpene derived from oleanane that differs from alpha-amyrin in having the 29-carbon at the 20 position; RN given refers to (3 beta)-isomer
pentacyclic triterpenoid;
secondary alcohol
Aspergillus metabolite;
plant metabolite
alpha-amyrinalpha-amyrin : A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group.

alpha-amyrin: beta-amyrin is also available; a 5 ring triterpene derived from taraxasterol that differs from beta-amyrin in having the 29-carbon at the 19 position
pentacyclic triterpenoid;
secondary alcohol
1,2,3,6-tetragalloylglucose1,2,3,6-tetragalloylglucose: structure given in first source

1,2,3,6-tetrakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions.
gallate ester;
galloyl beta-D-glucose
nodakeninnodakenin: RN given for (R)-isomer; has anti-inflammatory propertiesfuranocoumarin
pinobanksinpinobanksin : A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7.

pinobanksin: a flavonoid from propolis; RN refers to (2R-trans)-isomer
secondary alpha-hydroxy ketone;
trihydroxyflavanone
antimutagen;
antioxidant;
metabolite
2-chloranil
hederagenindihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
plant metabolite
doripenemDoripenem: A carbapenem derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of infections such as HOSPITAL-ACQUIRED PNEUMONIA, and complicated intra-abdominal or urinary-tract infections, including PYELONEPHRITIS.carbapenems
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride.hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor
amperozideamperozide : A member of the class of ureas that is urea in which three of the four hydrogens are replaced by ethyl and 4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl groups. An atypical antipsychotic which was in clinical development for the treatment of schizophrenia and substance-related disorders. It is a potent 5-HT2A antagonist and used in veterinary medicine because of its sedative effect on pigs.diarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas
anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
amperozide hydrochlorideamperozide hydrochloride : The hydrochloride salt of amperozide.hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist
gramicidin shomodetic cyclic peptide
calpeptinamino acid amide
dauricinedauricine : A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter).

dauricine: RN given refers to parent cpd
aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound
plant metabolite
tryptanthrinetryptanthrine: minor constituent of traditional Chinese medicine qing daialkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
arjunolic acidarjunolic acid : A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). Isolated from Symplocos lancifolia and Juglans sinensis, it exhibits antioxidant and antimicrobial activities.

arjunolic acid: oleanane type; isol from Cochlospermum tinctorium (Bixaceae); structure given in first source; RN given refers to (2alpha,3beta,4alpha)-isomer; RN for cpd without isomeric designation not avail 12/89
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
antibacterial agent;
antifungal agent;
antioxidant;
metabolite
maslinic acid(2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoriadihydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
clofentezineclofentezine : A tetrazine that is 1,2,4,5-tetrazine in which both of the hydrogens have been replaced by o-chlorophenyl groups.

clofentezine: acaricide, primarily a mite ovicide; structure given in first source
monochlorobenzenes;
organochlorine acaricide;
tetrazine
mite growth regulator;
tetrazine acaricide
Pyrrolidine-1-carbonitrilepyrrolidines
1-aminoisoquinoline
n-benzylmaleimide
Oroselonefuranocoumarin
perfluorooctane sulfonic acidperfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.perfluoroalkanesulfonic acidantilipemic drug;
persistent organic pollutant
2-phenylisatogen2-phenylisatogen: inhibitor of mitochondrial oxidative phosphorylation; structure
iodophthalein
4-(2-thiazolylazo)resorcinol4-(2-thiazolylazo)resorcinol: sensitive indicator for metals
4-aminopyrazolo(3,4-d)pyrimidine4-aminopyrazolo(3,4-d)pyrimidine: adenine analog which suppresses growth of E coli & Bacillus cereus; inhibits cell growth & purine biosynthesis in rat hepatoma
victoria blue boVictoria blue BO: a cationic triarylmethane dye; exhibits photodynamic activity against the human leukemic cell lines K-562 and TF-1
2-hydroxyfluorene2-hydroxyfluorene: structure in first sourcefluorenes
4'-bromosalicylanilide4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure
2-(2-aminoethyl)pyridine2-(2-aminoethyl)pyridine: histamine H1 receptor agonist inducing cross-tolerance to histamine; RN given refers to parent cpd; structureaminoalkylpyridine;
primary amine
histamine agonist;
metabolite
3,5-di-tert-butyl-1,2-benzoquinone
4-Methoxybenzamidebenzamides
di-n-octyltin dichloride
prolinalpyrrolidines
4'-methoxyflavone4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first sourceether;
flavonoids
methyl tryptophan, (l-trp)-isomer
rivastigminecarbamate ester;
tertiary amino compound
cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
3,7-diazanonane-1,9-diamine2,3,2-tetramine: potent copruretic agent; RN given refers to parent cpdpolyazaalkane;
tetramine
2-methyl-4-nitroquinoline 1-oxide2-methyl-4-nitroquinoline 1-oxide: structure
2-aminopyrazinepyrazines
isopropyl thioxanthoneisopropyl thioxanthone: structure in first source
n-hydroxysuccinimideN-hydroxysuccinimide: structure
tetraconazole1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole : A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group.

tetraconazole : A racemate comprising equal amounts of (R)- and (S)-tetraconazole. A fungicide used to control a range of fungal infections including powdery mildew, rusts, bunt, loose smut and scab.
dichlorobenzene;
ether;
organofluorine compound;
triazoles
alpha-thujaplicinalpha-thujaplicin: structure in first source
chloropyramine hydrochloride
2-(carboxymethylthio)benzothiazole2-(carboxymethylthio)benzothiazole: oxidation product of 2-(hydroxyethylthio)benzothiazole; structure given in first source
7-nitro-1h-indole-2-carboxylic acid7-nitro-1H-indole-2-carboxylic acid: acts on AP endonuclease, 3'-phosphodiesterase, and 3'-phosphatase activities of APE1; structure in first source
6-aminoindazole6-aminoindazole: depresses gastric acid secretion; structure given in first sourceindazoles
ethyl 3-amino-1h-pyrazole-4-carboxylateethyl 3-amino-1H-pyrazole-4-carboxylate: structure in first source
ethyl 2-cyanoacrylateethyl 2-cyanoacrylate: RN given refers to monomer
1-phenylimidazole1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation
3-indazolinone3-indazolinone: structure given in first source
bexarotenebenzoic acids;
naphthalenes;
retinoid
antineoplastic agent
flunisolideflunisolide: flunisolide HFA is a formulation of flunisolide using hydrofluoroalkane (HFA) as propellant in place of chlorofluorocarbon (CFC) ones11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone
anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
sulfamidesulfamide : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to two amino groups and by double bonds to two oxygen atoms.sulfamides
8-(4-tolylsulfonylamino)quinoline8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first sourcesulfonamide
3,4-dihydroxyphenylethanol3,4-dihydroxyphenylethanol: serotonin metabolite; structurecatechols;
primary alcohol
antineoplastic agent;
antioxidant;
metabolite
beta-naphthyl phosphate2-naphthyl dihydrogen phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase.

beta-naphthyl phosphate: substrate for bovine kidney acid phosphatase
aryl phosphatechromogenic compound
d-aspartic acidaspartic acid;
D-alpha-amino acid
mouse metabolite
clarithromycinclarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.

Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.
macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
5-amino-1,3,4-thiadiazole-2-sulfonamide5-amino-1,3,4-thiadiazole-2-sulfonamide: structure in first source
4-aminoquinazoline4-aminoquinazoline: structure in first source
hexyltrimethylammoniumhexyltrimethylammonium: RN given refers to parent cpd
priminprimin : A 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position.

primin: contact allergen found in the ornamental plant Primula obconica Hance
1,4-benzoquinonesallergen;
antifeedant;
antimicrobial agent;
hapten;
metabolite
n-(4-(2-benzoxazolyl)phenyl)maleimide
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile : A member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups.

fenbuconazole : A racemate comprising equimolar amounts of (R)- and (S)-fenbuconazole. A fungicide used to control a range of diseases including powdery mildew, black rot and scab.

fenbuconazole: fenbuconazole is a formulant in the fungicide Enable; structure in first source
monochlorobenzenes;
nitrile;
triazoles
difenoconazoledifenoconazole : A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2-chloro-4-(4-chlorophenoxy)phenyl and 1,2,4-triazol-1-ylmethyl groups. A broad spectrum fungicide with novel broad-range activity used as a spray or seed treatment. It is moderately toxic to humans, mammals, birds and most aquatic organisms.aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic
metconazolemetconazole : A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzyl and geminal dimethyl substituents at positions 1, 2 and 5 respectively. Used to control a range of fungal infections including alternaria, rusts, fusarium and septoria diseases.conazole fungicide;
cyclopentanols;
monochlorobenzenes;
tertiary alcohol;
triazole fungicide;
triazoles
antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
5-Chloro-1H-indole-2,3-dioneindolesanticoronaviral agent
coenzyme aadenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
5-aminoindazole
5-iodoisatin5-iodoisatin: structure in first sourceindolesanticoronaviral agent
isoamyl 4-n,n-dimethylaminobenzoateisoamyl 4-N,N-dimethylaminobenzoate: combined with PABA in Spectraban 15 lotion & with indomethacin in Spectraban 5.6 lotionbenzoate ester
nicotine(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
2,2-dimethoxy-2-phenylacetophenone
trimethyl(4-oxopentyl)ammoniumN,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl.

trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag
quaternary ammonium ion
bisphenol f diglycidyl etherbisphenol F diglycidyl ether : An aromatic ether that is bisphenol F where the hydrogens of both hydroxy groups have been replaced by a oxiran-2-ylmethyl group.

bisphenol F diglycidyl ether: structure in first source
aromatic ether;
diarylmethane;
epoxide
acid green 50
2-(2,6-dioxopiperidin-3-yl)phthalimidine2-(2,6-dioxopiperidin-3-yl)phthalimidine: thalidomide analog; structure; RN given refers to cpd without isomeric designation
8-((4-chlorophenyl)thio)cyclic-3',5'-amp8-((4-chlorophenyl)thio)cyclic-3',5'-AMP: lowers cAMP in heart & fat cells; cAMP-dependent kinase inhibitor

8-(4-chlorophenylthio)-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
aryl sulfide;
organochlorine compound
protein kinase agonist
pencycuronpencycuron : A member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.

pencycuron: structure given in first source
monochlorobenzenes;
phenylureas
antifungal agrochemical
penconazole1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole : A member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group.

penconazole : A racemate comprising equal amounts of (R)- and (S)-penconazole. A fungicide used to control powdery mildew, scab and other pathogenic Ascomycetes, Basidiomycetes and Deuteromycetes.

penconazole: structure given in first source
dichlorobenzene;
triazoles
triflumizoltriflumizol: structure given in first source

triflumizole : A carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops.
fluazinamfluazinam : A member of the class of aminopyridines that is 2-amino-5-(trifluoromethyl)pyridine in which one of the amino hydrogens is replaced by a 3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl group. A fungicide used to control grey mould, downy mildew and other fungal pathogens.

fluazinam: structure given in first source
(trifluoromethyl)benzenes;
aminopyridine;
C-nitro compound;
chloropyridine;
monochlorobenzenes;
secondary amino compound
allergen;
antifungal agrochemical;
apoptosis inducer;
environmental contaminant;
xenobiotic
sk&f 95282zolantidine: structure given in first sourcepiperidines
ac 263,2225-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid : A pyridinemonocarboxylic acid that is 5-methylpyridine-3-carboxylic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, methyl, and oxo groups, respectively.

imazapic : A racemate comprising equimolar amounts of (R)- and (S)-imazapic. It is a selective imidazolinone herbicide for pre- and post-emergent control of some annual and perennial grasses and broadleaf weeds. It kills plants by inhibiting the activity of the enzyme acetohydroxy acid synthase (AHAS).

imazapic: imidazolinone herbicide
imidazolines;
imidazolone;
methylpyridines;
pyridinemonocarboxylic acid
chlorfenapyrchlorfenapyr : A member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests.

chlorfenapyr: an experimental pour-on formulation, a new generation pyrethroid available to producers
hemiaminal ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide;
pyrroles
proacaricide;
proinsecticide
sarsasapogeninsapogenin
riboflavin tetrabutyrateriboflavin tetrabutyrate: RN given refers to unlabeled parent cpdflavin
peptide elongation factor 2(S)-thalidomide : A 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre.2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dioneteratogenic agent
n(6)-benzyladenosineN(6)-benzyladenosine: RN given refers to parent cpd
D-dopaD-dopa : The D-enantiomer of dopa.amino acid zwitterion;
D-tyrosine derivative;
dopa
levobupivacainelevobupivacaine : The (S)-(-)-enantiomer of bupivacaine.

Levobupivacaine: S-enantiomer of bupivacaine that is used as a local anesthetic and for regional nerve blocks, including EPIDURAL ANESTHESIA.
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamideadrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
tarenflurbiltarenflurbil: R-enantiomer of flurbiprofen but not a COX inhibitor; modulates NF-kB, gamma-secretase, amyloid beta-protein;flurbiprofen
lopinaviramphetamines;
dicarboxylic acid diamide
anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
uvaoluvaol: from Vauquelinia corymbosa (Rosaceae)triterpenoidmetabolite
tetrabromophenolphthalein ethyl estertetrabromophenolphthalein ethyl ester: RN given refers to parent cpd
methyl lithocholatemethyl lithocholate: RN given refers to (3alpha,5beta)-isomer
histidine methyl esterhistidine methyl ester : An alpha-amino acid ester that is the methyl ester of histidine.

histidine methyl ester: RN given refers to (L)-isomer; structure given in first source
histidine derivative
tyrphostin 8tyrphostin 8: a tyrosine kinase inhibitor (a tyrphostin)phenols
catalposide
phenylisopropyladenosinearomatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound
adenosine A1 receptor agonist;
neuroprotective agent
aminozolamideaminozolamide: used in therapy of ocular hypertension
1-(2-thiazolylazo)-2-naphthol1-(2-thiazolylazo)-2-naphthol: used to locate cadmium not bound to metallothionein
cortisol octanoatecorticosteroid hormone
bnps-skatoleBNPS-skatole : A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is used particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available C(gamma)=C(delta) double bonds such as tryptophan, tyrosine, and histidine).aryl sulfide;
bromoindole;
C-nitro compound
reagent
8-thio-benzyl cyclic amp8-thio-benzyl cyclic AMP: RN given refers to parent cpd
1-(2-pyridinyl)piperazine1-(2-pyridinyl)piperazine: metabolite of buspirone & gepirone
6-hydroxyethoxzolamide6-hydroxyethoxzolamide: structure given in first source
efuamideefuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source
diffractaic aciddifractaic acid: from Lichen, Usnea steineri; active against Gram-positive, multidrug-resistant bacteria; structure in first sourcecarbonyl compound
ska-31
1-phenazinecarboxylic acid1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source

phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group.
aromatic carboxylic acid;
monocarboxylic acid;
phenazines
antifungal agent;
antimicrobial agent;
bacterial metabolite
osajinosajin: from Maclura pomiferaisoflavanones
anisoin
hydrobenzoinhydrobenzoin: structure in first sourceethanediol
sym 2081
8-mercaptoquinoline8-mercaptoquinoline: structure given in first source
6,7-dichloroquinoline-5,8-dione6,7-dichloro-5,8-quinolinedione: structure in first source
6-amino-7-chloro-5,8-dioxoquinoline6-amino-7-chloro-5,8-dioxoquinoline: quinone structure important in this cpd; structure
8-aminoadenosine
3,5-dimethylpyrazole-1-carboxamidine3,5-dimethylpyrazole-1-carboxamidine: guanidinating reagent for proteins; RN given refers to parent cpd
adenosine-5'-carboxylic acidpurine nucleoside
hydroxybenzindazolehydroxybenzindazole: structure
adenosine 5'-carboxamideadenosine 5'-carboxamide: structure
5-benzyloxytryptophan
isopentaquine
5'-n-methylcarboxamideadenosine5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer
phellopterinphellopterin: a naturally occurring furanocoumarin found in roots of Angelica dahurica; structure in first sourcepsoralens
3-[3-(trifluoromethyl)phenyl]-1-methylureaa 1-methyl-3-phenylurea
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source
8-chloro-cyclic adenosine monophosphate
malabaricone cmalabaricone C: from maize (Myristica fragrans); structure given in first sourcebutanonemetabolite
arctiinarctiin: from fruits of Arctium lappa L; RN given refers to (3R-trans)-isomer; RN for cpd without isomeric designation not avail 12/92glycoside;
lignan
7-amino-4-trifluoromethylcoumarincoumarin 151: structure in first source7-aminocoumarinsfluorochrome
rapanonerapanone: antiparasitic agent from Rapanea; structure similar to embelindihydroxy-1,4-benzoquinones
n(6)-phenyladenosinepurine nucleoside
lobeline(-)-lobeline : An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position.aromatic ketone;
piperidine alkaloid;
tertiary amine
nicotinic acetylcholine receptor agonist
erythrodioldiol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol
plant metabolite
n-methyladenosineN-methyladenosine: is a inhibitor of cell differentiation

N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.
methyladenosine
alexidine dihydrchloride
fulvestrantfulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.

Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide
antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
hydrogen sulfitesulfur oxoanionhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
ici 164384ICI 164384: structure given in first source

ICI-164384 : A 3-hydroxy steroid that is 17beta-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7R. It is a steroidal antioestrogen that inhibits the cell proliferation of breast-carcinoma cell lines.
17beta-hydroxy steroid;
3-hydroxy steroid;
tertiary carboxamide
anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist
arginyl-glycyl-aspartic acidarginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition systemoligopeptide
sn 38SN-38 : A member of the class of pyranoindolizinoquinolines that is (4S)-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione bearing two additional ethyl substituents at positions 4 and 11 as well as two additional hydroxy substituents at positions 4 and 9. It is the active metabolite of irinotecan and is ~1000 times more active than irinotecan itself.delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
alphaxalonealphaxalone: RN given refers to (3alpha,5alpha)-isomer; structurecorticosteroid hormone
rimonabant
sr141716amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles
anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
cp-55,940
u 74006ftirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedoxcorticosteroid hormone
ecgonine methyl esterecgonine methyl ester : The O-debenzoyl analogue of cocaine.

ecgonine methyl ester: major metabolite of cocaine; RN given refers to parent cpd (1R-(exo,exo))-isomer
methyl ester;
tertiary amino compound;
tropane alkaloid
analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
vanoxerinevanoxerine dihydrochloride : A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.hydrochloridedopamine uptake inhibitor
3,3',4,4',5,5'-hexabromobiphenyl
propidium iodideorganic iodide salt
indolactam vindolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first sourceindoles
cyanatescyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.

Cyanates: Organic salts of cyanic acid containing the -OCN radical.

isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).
cv 3988CV 3988: platelet activating factor antagonist; structure given in first source
dihydroergocristinedihydroergocristine : Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.

Dihydroergocristine: A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule.
ergot alkaloidadrenergic antagonist;
vasodilator agent
methoctraminemethoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents.

methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid.

methoctramine: structure given in first source
hydrochloridemuscarinic antagonist
arginyl-glycyl-aspartyl-serinearginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets
gr 127935GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.

GR 127935: a 5-HT 1D receptor antagonist
1,2,4-oxadiazole;
benzamides;
N-alkylpiperazine;
N-arylpiperazine
6-hydroxydopa6-hydroxydopa: RN given refers to cpd without isomeric designationnon-proteinogenic alpha-amino acid
dihydrokainatedicarboxylic acid
epicatechin gallate(-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.

epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea
catechin;
gallate ester;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
(S)-Mephenytoinimidazolidine-2,4-dione
5-hydroxypropafenonephenols
deguelindeguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers.

deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source
aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite
s-methylthiocitrullineS-methyl-L-thiocitrulline : An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.

S-methylthiocitrulline: a nitric oxide synthase inhibitor; structure in first source
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
daidzindaidzein 7-O-beta-D-glucoside : A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).

daidzin: a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative
plant metabolite
n(g)-iminoethylornithineL-alpha-amino acid
Zearalanonemacrolide;
resorcinols
tamibarotenetamibarotene : A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine.

tamibarotene: has retinoid-binding activity
dicarboxylic acid monoamide;
retinoid;
tetralins
antineoplastic agent;
retinoic acid receptor alpha/beta agonist
ecteinascidin 743acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound
alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
10-hydroxycarbamazepine10,11-dihydro-10-hydroxycarbamazepine: main metabolite of oxcarbazepine; structure given in first source

licarbazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine, reduced across the C-10,11 positions and carrying a carbamoyl substituent at the azepine nitrogen and a hydroxy function at C-10. A voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects, it is related to oxcarbazepine and is an active metabolite of oxcarbazepine.
carboxamide;
dibenzoazepine;
ureas
anticonvulsant;
drug allergen;
sodium channel blocker
territrem bterritrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer
opc 21268OPC 21268: structure given in first source; vasopressin V1 receptor antagonist
tephrosintephrosin : A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities.

tephrosin: RN given for (7aR-cis)-isomer; has insecticidal activity; structure in first source
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
pesticide
tanshinonetanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agentabietane diterpenoidanticoronaviral agent
1-(carboxymethylthio)tetradecane1-(carboxymethylthio)tetradecane: structure given in first source; alkylthio acetic acid, non-beta-oxidizablestraight-chain fatty acid
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine: cyclic methadone metabolite; RN given refers to parent cpd; structure
paliperidone3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
glycolithocholic acidglycolithocholic acid : The glycine conjugate of lithocholic acid.

glycolithocholic acid: RN given refers to (3alpha,5beta)-isomer
bile acid glycine conjugate;
N-acylglycine
sm 9018
levobupivacaine hydrochloridelevobupivacaine hydrochloride (anhydrous) : The monohydrochloride salt of levobupivacaine.1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochlorideadrenergic antagonist;
amphiphile;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
local anaesthetic
asiatic acidmonocarboxylic acid;
pentacyclic triterpenoid;
triol
angiogenesis modulating agent;
metabolite
7-methoxytacrine
clofarabineadenosines;
organofluorine compound
antimetabolite;
antineoplastic agent
sr 48692SR 48692: structure in first source; a neurotensin receptor-1 antagonistN-acyl-amino acid
4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid
mozavaptanmozavaptan: aquaretic agent; vasopressin V2 receptor antagonist; structure given in first sourcebenzamidesaquaretic
gr 113808GR 113808 : An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.

GR 113808: structure given in first source; a 5-HT(4) receptor antagonist: GR 125487 is the HCl salt
indolyl carboxylate ester;
piperidines;
sulfonamide
serotonergic antagonist
anhydroecgonine methyl esteranhydroecgonine methyl ester: structure given in first sourceN-alkylpyrrolidine
mosapride4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine.aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
valdecoxibisoxazoles;
sulfonamide
antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-phenylpyrrolidone-2
razadyneRazadyne: Name of the FDA approved preparation from J&J.
ezogabineezogabine : A substituted aniline that is benzene-1,2,4-triamine bearing ethoxycarbonyl and 4-fluorobenzyl substituents at positions N-1 and N-4 respectively. An anticonvulsant used to treat seizures associated with epilepsy in adults.

ezogabine: structure in first source
carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline
anticonvulsant;
potassium channel modulator
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazineLY 165163: structure given in first source; a serotonin agonist

LY-165163 : A N-arylpiperazine that is piperazine substituted by 2-(4-aminophenyl)ethyl and 3-(trifluoromethyl)phenyl groups at positions 1 and 4, respectively. It is a selective 5-HT1A serotonin receptor agonist and 5-HT1D serotonin receptor antagonist.
(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline
geroprotector;
serotonergic agonist
desethylamodiaquinedesethylamodiaquine: metabolite of amodiaquine
l 655240L 655240: thromboxane and prostaglandin endoperoxide receptor antagonist; structure given in first source; RN given is for parent cpdmethylindole
zoxamide3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one.

zoxamide : A racemate comprising equimolar amounts of (R)- and (S)-zoxamide. A fungicide used for the control of various fungal infections including blight in potatoes and tomatoes.

zoxamide: no further info available 4/02
alpha-chloroketone;
benzamides;
dichlorobenzene
lomerizine dihydrochloride
pd 142893PD 142893: functional antagonist of endothelin-stimulated vasoconstriction
pd 128042PD 128042: structure given in first sourceanilide
tetradecanoylphorbol acetate
celastrolmonocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
procyanidin b2procyanidin B2 : A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine.biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin
antioxidant;
metabolite
4'-demethylepipodophyllotoxin4'-demethylepipodophyllotoxin : An organic heterotetracyclic compound that is the 9- epimer of 4'-demethylpodophyllotoxin.

4'-demethylepipodophyllotoxin: structure in first source
furonaphthodioxole;
organic heterotetracyclic compound;
phenols
antineoplastic agent
profenamine hydrochlorideprofenamine hydrochloride : The monohydrochloride salt of profenamine. An antimuscarinic, it is used for the symptomatic treatment of Parkinson's disease.hydrochlorideadrenergic antagonist;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist
aromadedrin(+)-dihydrokaempferol : A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions.

aromadedrin: inhibits protein kinase C; the dihydro makes it a flavone rather than a flavonol
4'-hydroxyflavanones;
dihydroflavonols;
secondary alpha-hydroxy ketone;
tetrahydroxyflavanone
metabolite
benzyl 2-naphthyl etherbenzyl 2-naphthyl ether: structure in first source
1,3-indandione1,2-indanedione: use for detection of latent fingerprints on porous surfaces; structure in first source
imatinib mesylateimatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
tecastemizole
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamineN-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)leucine derivative
bay x 10052-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acid: inhibits synthesis of leukotriene B4 and 5-hydroxyeicosatetraenoic acid; inhibits five-lipoxygenase activating protein(FLAP)and leukotriene A4 hydrolase(LTA4H); structure given in first source;
glycyl-arginyl-glycyl-aspartyl-serineglycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells
angiotensin ii, des-asp(1)-des-arg(2)-ile(5)-angiotensin II, des-Asp(1)-des-Arg(2)-Ile(5)-: 3-8 hexapeptide fragment of angiotensin II; smallest potent angiotensin II antagonistorganic molecular entity
n,n-dimethylarginineN,N-dimethylarginine: asymmetric dimethylarginine; do not confuse with N,N'-dimethylarginine

N(omega),N(omega)-dimethyl-L-arginine : A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor
n(omega)-hydroxyarginineN(5)-[(Z)-amino(hydroxyimino)methyl]-L-ornithine : An N(5)-[amino(hydroxyimino)methyl]-L-ornithine in which the double bond has Z-configuration.

N(omega)-hydroxyarginine: can cause vasorelaxation of bovine intrapulmonary artery; structure given in first source
amino acid zwitterion;
N(5)-[(E)-amino(hydroxyimino)methyl]ornithine;
N(5)-[(hydroxyamino)(imino)methyl]ornithine;
N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine;
N(5)-[amino(hydroxyimino)methyl]-L-ornithine;
N(5)-[amino(hydroxyimino)methyl]ornithine;
N(omega)-hydroxy-L-arginine
vadimezanvadimezan : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.monocarboxylic acid;
xanthones
antineoplastic agent
e 64E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion
antimalarial;
antiparasitic agent;
protease inhibitor
glabraninglabranin : A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8.(2S)-flavan-4-one;
dihydroxyflavanone
plant metabolite
glabridinhydroxyisoflavansantiplasmodial drug
dihydrosanguinarinebenzophenanthridine alkaloidantifungal agent;
metabolite
tetrahydrocurcumintetrahydrocurcumin : A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds.beta-diketone;
diarylheptanoid;
polyphenol
metabolite
demethoxyviridindemethoxyviridin: blocks phospholipase C & D activation in human neutrophils; RN from Toxlit
desvenlafaxineO-desmethylvenlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine.cyclohexanols;
phenols;
tertiary amino compound
antidepressant;
drug metabolite;
marine xenobiotic metabolite
l 687384L 687384: a high-affinity sigma receptor ligand
indatralineindatraline: RN given for (trans)-isomer; structure in first sourceindanes
lestaurtinibindolocarbazole
methotrexatedicarboxylic acid;
monocarboxylic acid amide;
pteridines
abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
estrone-3-o-sulfamateestrone-3-O-sulfamate: a steroid sulfatase inhibitor
ro 32-0432
fpl 67047xxFPL 67047XX: inhibits phospholipase A2; structure in first source
cdp 840
l 656224L 656224: structure given in first source
schisanhenol bschisanhenol B: isolated from kernels of Schisandra rubriflora; structure given in first source
ne 58051NE 58051: inhibits tumor cell adhesion to extracellular matrices; structure in first source
1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source
n-depropylpropafenoneN-depropylpropafenone: propafenone metabolite; structure given in first source
4-(3-chloroanilino)quinazoline4-(3-chloroanilino)quinazoline: structure given in first source
rg 6866RG 6866: structure given in first source
cki 7N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I.

N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source
isoquinolines;
organochlorine compound;
primary amino compound;
sulfonamide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bwa 137c
(hydroxy-2-naphthalenylmethyl)phosphonic acid(hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source
1-naphthylacetylsperminenaphthalenes
omeprazole magnesiumesomeprazole magnesium : A magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome.benzimidazoles;
sulfoxide
7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine: inibits growth of B16 melanoma & MCF-7 mammary carcinoma cells
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
gamma-carbolinegamma-carboline: RN given refers to parent cpd; structure given in first sourcepyridoindole
ym 529YM 529: inhibits osteoclastic bone resorption; structure given in first source
e 5880E 5880: platelet activating factor antagonist; RN given refers to chloride; RN for parent cpd not avail 2/92; structure given in first source
2-(4-morpholinyl)-4h-1-benzopyran-4-one2-(4-morpholinyl)-4H-1-benzopyran-4-one: an aminochromone; exhibits both antiproliferative and antichemotactic activity in vitro
cercosporamidecercosporamide : A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.

cercosporamide: antineoplastic; RN refers to (S)-isomer
dibenzofurans;
methyl ketone;
monocarboxylic acid amide;
polyphenol
antifungal agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite;
phytotoxin
eth 615ETH 615: leukotriene B4 and interleukin-8 antagonist; structure in first source
n-(3-ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
c 1311C 1311: an imidazoacridinone; arrests cell-cycle progression in the G2 phase of L1210 cells; structure given in first source
quilostigminequilostigmine: RN given for (3aS,cis)-isomer; structure in first sourcepyrroloindole
ici d2138ICI D2138: structure given in first source; inhibitor of leukotriene B4 synthesis
ilomastatCS 610: matrix metalloproteinase inhibitor; structure in first source

ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
d-arg-gly-asp-trparginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide
omega-n-methylarginineN(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.

omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
cgs 26303CGS 26303: a potent non-peptidic inhibitor of neutral endopeptidase capable of protecting atrial natriuretic peptide from enzymatic degradation; structure given in first source
fce 28260(22RS-N-1,1,1-trifluoro-2-phenylprop-2-yl)-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide: structure given in first source
zm 230487ZM 230487: a 5-lipoxygenase inhibitor
ivabradineivabradine : A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure.

Ivabradine: A benzazepine derivative and selective HYPERPOLARIZATION-ACTIVATED CYCLIC NUCLEOTIDE-GATED CHANNELS inhibitor that lowers the heart rate. It is used in the treatment of CHRONIC STABLE ANGINA in patients unable to take BETA-ADRENERGIC BLOCKERS, and in the treatment of HEART FAILURE.
aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound
cardiotonic drug
ml-3000
sk&f 83959N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a 3-methylphenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 6 and two hydroxy substituents at positions 7 and 8. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine.

SK&F 83959: induces grooming & vacuous chewing; agonist of dopamine D1-like receptors that inhibits dopamine sensitive adenylyl cyclase
benzazepine;
catechols;
organochlorine compound;
tertiary amino compound
dopamine agonist
l 7416263-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first sourcepiperidines
febuxostatfebuxostat : A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout.

Febuxostat: A thiazole derivative and inhibitor of XANTHINE OXIDASE that is used for the treatment of HYPERURICEMIA in patients with chronic GOUT.
1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile
EC 1.17.3.2 (xanthine oxidase) inhibitor
pomalidomide3-aminophthalimidoglutarimide: structure in first sourcearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
ng-nitroarginine methyl esterN(gamma)-nitro-L-arginine methyl ester hydrochloride : A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid.hydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor
cd 437CD 437: selective for retinoic acid receptors gamma

CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells.
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols
apoptosis inducer;
retinoic acid receptor gamma agonist
6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid: reverses keratinization process in hamster tracheal organ culture; inhibits induction of ornithine decarboxylase; structure & RN given in first source; RN not in Chemline 12/5/83
5-nitro-2'-deoxyuridine
3',4'-dihydroxyflavone3',4'-dihydroxyflavone: inhibitors of arachidonic acid peroxidation
3-octylthio-1,1,1-trifluoro-2-propanone3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase
selenomethylselenocysteineSe-methyl-L-selenocysteine : An L-alpha-amino acid compound having methylselanylmethyl as the side-chain.

Se-methylselenocysteine : An alpha-amino acid compound having methylselanylmethyl as the side-chain.
amino acid zwitterion;
L-selenocysteine derivative;
non-proteinogenic L-alpha-amino acid;
Se-methylselenocysteine
antineoplastic agent
10-propargyl-10-deazaaminopterin10-propargyl-10-deazaaminopterin: structure in first source

pralatrexate : A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma.
N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxelhydrate;
secondary alpha-hydroxy ketone
antineoplastic agent
docetaxel anhydrousdocetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.

Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid
antimalarial;
antineoplastic agent;
photosensitizing agent
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
atazanaviratazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).carbohydrazideantiviral drug;
HIV protease inhibitor
lonafarniblonafarnib : A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor.

lonafarnib: inhibitor of farnesyl protein transferase
4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamideantineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
nsc-141549
1,2-dioctanoylglycerol1,2-dioctanoyl-sn-glycerol : 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5.1,2-diacyl-sn-glycerol;
dioctanoylglycerol
levofloxacinlevofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.

Levofloxacin: The L-isomer of Ofloxacin.
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
9-(2-hydroxy-3-nonyl)adenine(2R,3S)-EHNA : EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.EHNAEC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor
9-(2-hydroxy-3-nonyl)adenine(2S,3R)-EHNA : EHNA of absolute configuration 2S,3R.EHNA
ezetimibeezetimibe : A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).

Ezetimibe: An azetidine derivative and ANTICHOLESTEREMIC AGENT that inhibits intestinal STEROL absorption. It is used to reduce total CHOLESTEROL; LDL CHOLESTEROL, and APOLIPOPROTEINS B in the treatment of HYPERLIPIDEMIAS.
azetidines;
beta-lactam;
organofluorine compound
anticholesteremic drug;
antilipemic drug;
antimetabolite
4-aminophenylalanine4-amino-L-phenylalanine : The L-enantiomer of 4-aminophenylalanine.

4-aminophenylalanine : A phenylalanine derivative that is phenylalanine carrying an amino group at position 4 on the benzene ring.

4-aminophenylalanine: RN given refers to cpd without isomeric designation
4-aminophenylalanine;
amino acid zwitterion
cilomilastmethoxybenzenes
conivaptanconivaptan : The amide resulting from the formal condensation of 4-[(biphenyl-2-ylcarbonyl)amino]benzoic acid with the benzazepine nitrogen of 2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2. It is used as its hydrochloride salt for the treatment of hyponatraemia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH).benzazepineaquaretic;
vasopressin receptor antagonist
cariporidecariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source
ptk 787vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
vatalanibmonochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
moxifloxacinmoxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.

Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
antibacterial drug
l 738167L 738167: structure in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
centchromanCentchroman: A non-steroidal anti-fertility agent with anti-hormonal properties.
rp 73401piclamilast : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.

piclamilast: an antiasthmatic agent and phosphodiesterase 4 inhibitor; structure in first source
aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor
4-methoxyhonokiol4-methoxyhonokiol: an NSAID isolated from Magnolia obovata; structure in first source
moracin cbenzofurans
desmethylastemizoledesmethylastemizole: astemizole metabolite in dog plasma; structure given in first sourcebenzimidazoles
varespladibaromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide
anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
ly 311727LY 311727: a potent & selective inhibitor of human non-pancreatic secretory phospholipase A2; structure given in first source
atractylenolide iiiatractylenolide III: from Atractylodes macrocephala Koidz; structure in first sourcenaphthofuranmetabolite
canertinib dihydrochloride
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
cinacalcet hydrochloridecinacalcet hydrochloride : A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride.

Cinacalcet Hydrochloride: A naphthalene derivative and CALCIMIMETIC AGENT that increases the sensitivity of PARATHYROID GLAND calcium-sensing receptors to serum calcium. This action reduces parathyroid hormone secretion and decreases serum calcium in the treatment of PARATHYROID DISEASES.
hydrochloridecalcimimetic;
P450 inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
barbigeronebarbigerone: an antioxidant; structure in first source
n-benzyl-n-hydroxy-5-phenylpentamideN-benzyl-N-hydroxy-5-phenylpentanamide: a hydroxamic acid class lipoxygenase inhibitor
lercanidipine hydrochloridediarylmethane
(+)-rolipram(+)-rolipram : The (S)-enantiomer of rolipram.rolipram
telbivudinepyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
7-octylindolactam v7-octylindolactam V: only (-)-isomer has carcinogenic activity
mdl 74156hydrodolasetron: active metabolite of dolasetron
4,8-dimethyl-5'-carboxypsoralen4,8-dimethyl-5'-carboxypsoralen: major metabolite of trioxsalen
acrovestoneacrovestone : A polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities.

acrovestone: isolated from the stem bark of Acronychia pedunculata; RN given from CAS Index Guide (1982-1986)
acetophenones;
aromatic ether;
olefinic compound;
polyphenol
antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
miltironemiltirone: from Salvis miltiorrhiza Bunge; central benzodiazepine receptor ligand; structure given in first sourceabietane diterpenoid
2-chloroacetoacetanilide2-chloroacetoacetanilide: structure in first source
cryptotanshinonecryptotanshinone: from Salvia miltiorrhizaabietane diterpenoidanticoronaviral agent
territrem cterritrem C: tremorgenic mycotoxin from Aspergillus terreus; MF C28-H32-O9; structure given in first source
cyc 202seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one2-methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one: structure in first source
Serotonin hydrochloridetryptamines
ar-turmerone(+)-(S)-ar-turmerone : A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis.

ar-turmerone: potent antivenom against snake bites; isolated form Curcuma longa; structure given in first source
enone;
sesquiterpenoid
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite
chrysamine gchrysamine G: structure given in first source; RN refers to disodium salt
asimilobineasimilobine: from Nelumbro nucifera; RN given refers to (R)-isomeraporphine alkaloidmetabolite
cloperastine hydrochloridediarylmethane
8-(4-benzenesulfonylamino)quinoline8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source
ampelopsin(+)-dihydromyricetin : An optically active form of dihydromyricetin having (2R,3R)-configuration.

ampelopsin: hepatoprotective agent; isolated from Hovenia dulcis; RN given for (2R-trans)-isomer; structure in first source
dihydromyricetin;
secondary alpha-hydroxy ketone
antineoplastic agent;
antioxidant;
metabolite
n(6)-benzyl-cyclic adenosine 5'-monophosphate
ethyl adenosine-5'-carboxylateethyl adenosine-5'-carboxylate: potent vasoactive substance; RN given refers to parent cpd
malabaricone bmalabaricone B: from maize (Myristica fragrans); structure given in first source
fasudil hydrochloridefasudil hydrochloride : A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid.hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent
1-(2,6-dimethylphenoxy)-2-(3,4-dimethoxyphenylethylamino)propane
y 23023pyridochromene
ici 211965ICI 211965: structure given in first source
cd 2019CD 2019: a retinoic acid receptor beta2 agonist; structure given in first source
isoindigotinisoindigotin: used in treatment of chronic granulocytic leukemia; structure given in first source
thymidine 5'-diphosphatedTDP : A thymidine phosphate having a diphosphate group at the 5'-position.

thymidine 5'-diphosphate: see also record for thymidine 3',5'-diphosphate, RN 2863-04-9
pyrimidine 2'-deoxyribonucleoside 5'-diphosphate;
thymidine phosphate
Escherichia coli metabolite;
mouse metabolite
tanshinone ii atashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first sourceabietane diterpenoid
serine o-sulfateL-serine O-sulfate : A non-proteinogenic L-alpha-amino acid that is the O-sulfo derivative of L-serine.

serine O-sulfate: RN given refers to (L)-isomer
L-serine derivative;
non-proteinogenic L-alpha-amino acid;
O-sulfoamino acid
2-phenyl-1,2-benzisothiazol-3-(2h)-one2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen
chonemorphinechonemorphine: a steroidal alkaloid; antiparasitic agent from Chonemorpha fragrans
2,3,4,4'-tetramethoxy-1,1'-biphenyl2,3,4,4'-tetramethoxy-1,1'-biphenyl: structure given in first source
ly 300502
anacardic acidanacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities.

anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor
hydroxy monocarboxylic acid;
hydroxybenzoic acid
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
barbatic acidbarbatic acid: structure in first sourcecarbonyl compound
n-n-propylnorapomorphineaporphine alkaloid
boswellic acidboswellic acid: ursane type; RN given refers to (3alpha,4beta)-isomer; active principle of salai guggal; see also record for salai guggaltriterpenoid
magnolinmagnolin: from flower buds of Magnolia biondii
miconidinmiconidin: found in Primula; a precursor to primin; inhibits growth in Trypanosoma cruzi
4-(2-aminoethyl)benzenesulfonamide
17 alpha-hydroxyprogesterone caproate17 alpha-Hydroxyprogesterone Caproate: Hydroxyprogesterone derivative that acts as a PROGESTIN and is used to reduce the risk of recurrent MISCARRIAGE and of PREMATURE BIRTH. It is also used in combination with ESTROGEN in the management of MENSTRUATION DISORDERS.corticosteroid hormone
farglitazarfarglitazar: a non-thiazolidinedione insulin sensitiser and PPARgamma agonist
5-o-methylembelin5-O-methyl embelin : A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease.

5-O-methylembelin: extracted from mangrove Aegiceras corniculatum; piscicide; see embelin
enol ether;
monohydroxy-1,4-benzoquinones
antileishmanial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
metabolite
abt 980
fiduxosinfiduxosin: fiduxosin (ABT-980) is the (3aR,9bR)-isomer; structure in first source
lixivaptan
delta-n-methylarginineN(5)-methyl-L-arginine : A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at N(5)-position.guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
sk&f 75670
chrysomycin b
perlatolinic acidperlatolinic acid: C25-H32-O7; structure in first sourcecarbonyl compound
ly 97241LY 97241: clofilium analog; blocks heart potassium channels; structure given in first source
mesotrionemesotrione : An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.

mesotrione: brandname is after the Callistemon (MYRTACEAE) plant it was found in; structure in first source
aromatic ketone;
beta-triketone;
C-nitro compound;
sulfone
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic
migalastatmigalastat: a potent inhibitor of glycolipid biosynthesispiperidines
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
nbi 27914dialkylarylamine;
tertiary amino compound
enzastaurinindoles;
maleimides
zm 241385ZM 241385: a high affinity radioligand selective for the A2a adenosine receptordiamino-1,3,5-triazine
sch 58261triazolopyrimidines
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
erlotinib hydrochloridehydrochloride;
terminal acetylenic compound
antineoplastic agent;
protein kinase inhibitor
cilengitideCilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cellsoligopeptide
bifenazatebifenazate : A carboxylic ester obtained by formal condensation of 2-(4-methoxy[1,1'-biphenyl]-3-yl)hydrazinecarboxylic acid with 2-propanol.

bifenazate: an acaricide
carboxylic esteracaricide
agn 193109AGN 193109: structure given in first source
l 734217L 734217: fibrinogen receptor antagonist; structure given in first source
spirodiclofenspirodiclofen: an acaricidedichlorobenzene;
gamma-lactone;
organochlorine acaricide;
oxaspiro compound
eslicarbazepine acetateeslicarbazepine acetate : The acetate ester, with S configuration, of licarbazepine. An anticonvulsant, it is approved for use in Europe and the United States as an adjunctive therapy for epilepsy.acetate ester;
carboxamide;
dibenzoazepine;
ureas
anticonvulsant;
drug allergen
betulinan abetulinan A: a lipid peroxidation inhibitor; from Lenzites betulina; structure given in first source
rs 67333RS 67333: 5-HT(4) receptor agonist; structure in first sourcearomatic ketone
tak 779
ak 295AK 295: a dipeptide alpha-ketoamide calpain inhibitor
sibenadetsibenadet: structure in first source
scutellarinscutellarin : The glycosyloxyflavone which is the 7-O-glucuronide of scutellarein.

scutellarin: see scutellarein for aglycone
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antineoplastic agent;
proteasome inhibitor
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
aflatoxin b1aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.

Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.
aflatoxin;
aromatic ether;
aromatic ketone
carcinogenic agent;
human metabolite
emd 60263EMD 60263: a thiadiazinone derivative; a Ca+2 sensitizer devoid of any phosphorodiesterase inhibiting properties; EMD 60264 is an enantiomer of EMD 60263; structure given in second source
2-amino-5,6-dihydro-4h-1,3-thiazine2-amino-5,6-dihydro-4H-1,3-thiazine: RN given refers to parent cpd
deflazacortdeflazacort: structurecorticosteroid hormone
phenserinephenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
ly 97119LY 97119: clofilium analog; blocks heart potassium channels; structure given in first source
latrepirdinelatrepirdine: structuremethylpyridines;
pyridoindole
geroprotector
zanapezilpiperidines
(-)-gallocatechin gallate(-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea.catechin;
gallate ester;
polyphenol
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
4-n-butylresorcinol4-n-butylresorcinol: structure in first sourceresorcinols
orantinibmonocarboxylic acid;
oxindoles;
pyrroles
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
dronedaronedronedarone : A member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias.

Dronedarone: A non-iodinated derivative of amiodarone that is used for the treatment of ARRHYTHMIA.
1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
environmental contaminant;
xenobiotic
tv3326indanes
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
albaconazolealbaconazole: UR-9825 is the (1R,2R)-isomer; structure in first source
2-(4-morpholinoanilino)-6-cyclohexylaminopurine2-(4-morpholinoanilino)-6-cyclohexylaminopurine: structure in first sourcemorpholines;
purines;
secondary amino compound;
tertiary amino compound
adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
darunavirdarunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.

Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.
carbamate ester;
furofuran;
sulfonamide
antiviral drug;
HIV protease inhibitor
deferasiroxdeferasirox : A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions.

Deferasirox: A triazole and benzoate derivative that acts as a selective iron chelator. It is used in the management of chronic IRON OVERLOAD due to blood transfusion or non-transfusion dependent THALASSEMIA.
benzoic acids;
monocarboxylic acid;
phenols;
triazoles
iron chelator
taspinetaspine: RN given refers to parent cpd; structure
elarofibanelarofiban: a GPIIb and GPIIIa receptor antagonist; structure in first source
tolvaptanbenzazepine;
benzenedicarboxamide
aquaretic;
vasopressin receptor antagonist
sorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide
angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
mesembrenonemesembrenone: a psychoactive compound isolated from Sceletium tortuosum; structure in first sourcepyrrolidines
lenalidomidearomatic amine;
dicarboximide;
isoindoles;
piperidones
angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
senicapocsenicapoc: a Gardos channel blocker; structure in first source
l 778,123L-778,123 (free base) : A member of the class of imidazoles that is 1H-imidazole substituted by (4-cyanophenyl)methyl and [4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl groups at positions 1 and 5, respectively. It is a dual inhibitor of FPTase and GGPTase-I.imidazoles;
monochlorobenzenes;
nitrile;
piperazinone;
tertiary amino compound
antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamideindisulam : A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development.

N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide: structure in first source
chloroindole;
organochlorine compound;
sulfonamide
antineoplastic agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
roxindoleindolesalpha-adrenergic antagonist;
serotonergic drug
lacosamideLacosamide: An acetamide derivative that acts as a blocker of VOLTAGE-GATED SODIUM CHANNELS. It is used as an anticonvulsant, for adjunctive or monotherapy, in the treatment of PARTIAL SEIZURES.N-acyl-amino acid
cp 101,606traxoprodil mesylate: a selective NMDA antagonist; structure given in first source
N-hydroxy-2-phenylacetamideacetamides
demecolcine(-)-demecolcine : A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic.

Demecolcine: An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic.
alkaloid;
secondary amino compound
antineoplastic agent;
microtubule-destabilising agent
cholic acidcholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.

Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
n-phenylacrylamideN-phenylacrylamide: structure in first source
1-Anilino-9,10-dioxo-2-anthroic acidanthracenes
erythritolbutane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite
estradiol 3-benzoate17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol.17beta-hydroxy steroid;
benzoate ester
estrogen receptor agonist;
xenoestrogen
2-carbazol-9-ylbenzoic acidcarbazoles
N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
adrenosteroneadrenosterone : A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17.11-oxo steroid;
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite;
marine metabolite
norethindrone enanthatenorethindrone enanthate: structure in Negwer, 5th ed, #5612steroid ester
ml 204ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source
acetoxycycloheximideacetoxycycloheximide: structure
2-(4-aminophenyl)benzothiazole2-(4-aminophenyl)benzothiazole: an agent with selective profile of in vitro anti-tumour activity; structure in first source
2-pyridin-4-yl-1,3-benzothiazolebenzothiazoles
5-Fluoroisatinindolesanticoronaviral agent
epinastinedexamethasone acetate: RN given refers to (11beta,16alpha)-isomercorticosteroid hormone
1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol1-benzothiophen-2-yl-(4-dimethylaminophenyl)methanol: suppresses Jak2-mediated pathologic cell growth; structure in first source
n-hydroxy-2,2-diphenylacetamideN-hydroxy-2,2-diphenylacetamide: a class IIa HDAC inhibitor; structure in first source
2-hydroxyestradiol2-hydroxy-17beta-estradiol : A 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2.

2-hydroxyestradiol: catechol estrogen; RN given refers to (17 beta)-isomer
17beta-hydroxy steroid;
2-hydroxy steroid
carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
epitrate(S)-adrenaline : The S-enantiomer of adrenaline.4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
nsc 74859NSC 74859: inhibits Stat3 binding activity; structure in first source

S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.
amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester
STAT3 inhibitor
anisomycin(-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.

Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
potassium bromidepotassium bromide : A metal bromide salt with a K(+) counterion.potassium salt
nsc 889154-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source
gardenin agardenin A: promotes neurite outgrowth; structure in first source
nsc 953971,4-naphthoquinones
1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-onechalcones
berbaminebisbenzylisoquinoline alkaloid;
isoquinolines
papaverinolpapaverinol: degradation product of papaverine
nsc-126771dichloroallyl lawsone: structure
N-butyl-1H-benzimidazol-2-aminebenzimidazoles
2-(4-aminophenyl)quinoline2-(4-aminophenyl)quinoline: used for imaging tau protein; structure in first source
brusatol
4-methoxyxanthone4-methoxyxanthone: a vasodilator; structure in first source
u-104SLC-0111: a carbonic anhydrase inhibitor; structure in first source
wortmanninacetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound
anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
nsc228155
malabaricone amalabaricone A: from Myristica malabarica (rampatri), has antipromastigote activity; structure in first source
pifithrin mu2-phenylacetylenesulfonamide: induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia cells; also inhibits Hsp70 and autophagybenzenes
rocaglamiderocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity.

rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source
monocarboxylic acid amide;
monomethoxybenzene;
organic heterotricyclic compound
antileishmanial agent;
antineoplastic agent;
metabolite
marmesinmarmesin: RN given refers to (S)-isomer; nodakenetin is the (R)-isomermarmesin
2-amino-5-methylthiazole2-amino-5-methylthiazole: binds the W191G cavity of E coli cytochrome c peroxidase
niguldipine hydrochloride
cercosporincercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora.

cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants
aromolinearomoline: from roots of Stephania cepharantha; structure given in first source
paullonepaullone : An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6.

paullone: structure in first source
indolobenzazepine;
lactam
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
o-(chloroacetylcarbamoyl)fumagillolO-(chloroacetylcarbamoyl)fumagillol : A carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative.

O-(Chloroacetylcarbamoyl)fumagillol: Semisynthetic analog of fumagillin (a cyclohexane-sesquiterpene antibiotic isolated from ASPERGILLUS FUMIGATUS) that inhibits angiogenesis.
carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide
angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone: structure in first source
nsc 663284NSC 663284: structure in first sourcequinolone
nsc668394
nsc 680410NSC 680410: a bcr/abl kinase inhibitor; structure in first source
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavirritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
trapoxin atrapoxin B: from Helicoma ambiens; structure given in first source
Bardoxolonecyclohexenones
meridianin gmeridianin G: from the tunicate Aplidium meridianum; structure in first source
bardoxolone methylmethyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first sourcecyclohexenones
5-iodoindirubin-3'-monoxime5-iodoindirubin-3'-monoxime: inhibits GSK-3beta
1-hydroxypentane-1,1-bisphosphonate
1,1-hydroxyoctanodiphosphonate
nexavarorganosulfonate salt
4-2-Aminoethyl-morpholinemorpholines
methylmercuric chloridemethylmercuric chloride: RN given refers to unlabeled cpdchlorine molecular entity;
mercury coordination entity;
one-carbon compound
3-(1-dimethylaminoethyl)phenol3-(1-dimethylaminoethyl)phenol: a rivastigmine metabolite; structure in first source
1-methoxy-10H-acridin-9-oneacridines
9-deazaadenosine
2H-pyrazolo[4,3-b]quinoxalin-3-aminequinoxaline derivative
5'-deoxyadenosine5'-deoxyadenosine : A 5'-deoxyribonucleoside compound having adenosine as the nucleobase.

5'-deoxyadenosine: main heading DEOXYADENOSINE refers to the 3' cpd
5'-deoxyribonucleoside;
adenosines
Escherichia coli metabolite;
human metabolite;
mouse metabolite
canavanineL-canavanine : A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic.amino acid zwitterion;
non-proteinogenic L-alpha-amino acid
phytogenic insecticide;
plant metabolite
carnosinepolaprezinc: stimulates bone growthamino acid zwitterion;
dipeptide
anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
naringenin(S)-naringenin : The (S)-enantiomer of naringenin.(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
oxytocinoxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.

Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.
heterodetic cyclic peptide;
peptide hormone
oxytocic;
vasodilator agent
d-2-hydroxyglutarate(R)-2-hydroxyglutaric acid : The (R)-enantiomer of 2-hydroxyglutaric acid.2-hydroxyglutaric acidalgal metabolite
inositol 1,4,5-trisphosphateInositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.myo-inositol trisphosphatemouse metabolite
ouabaincardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.

ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.

Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone
anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
amastatinamastatin : A tetrapeptide comprising (2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl, L-valyl, L-valyl and L-aspartic acid units joined in sequence

amastatin: structure; inhibits aminopeptidase
tetrapeptideEC 3.4.11.* (aminopeptidase) inhibitor;
protease inhibitor
taxifolin(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.taxifolinmetabolite
tosylphenylalanyl chloromethyl ketoneN-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.

Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.
alpha-chloroketone;
sulfonamide
alkylating agent;
serine proteinase inhibitor
monoiodotyrosine3-iodo-L-tyrosine : The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group.

iodotyrosine : A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.

monoiodotyrosine : An iodotyrosine carrying a single iodo substituent.

Monoiodotyrosine: A product from the iodination of tyrosine. In the biosynthesis of thyroid hormones (THYROXINE and TRIIODOTHYRONINE), tyrosine is first iodized to monoiodotyrosine.
amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite
beta-chloro-l-alanine3-chloro-L-alanine : A 3-chloroalanine that has R configutation at the chiral centre.3-chloroalanine;
amino acid zwitterion;
L-alanine derivative
alpha-hydroxyglutarate, (l)-isomer2-hydroxyglutaric acid
nitroarginineN(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.

Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6)
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
adenosine 5'-phosphoramidateadenosine 5'-phosphoramidate : The phosphoramadite analogue of AMP.organic phosphoramidateMycoplasma genitalium metabolite
mimosineL-mimosine : An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica.4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
eriodictyoleriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.

eriodictyol: structure
3'-hydroxyflavanones;
tetrahydroxyflavanone
arbutinhydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.beta-D-glucoside;
monosaccharide derivative
Escherichia coli metabolite;
plant metabolite
obamegineobamegine: RN given refers to cpd without isomeric designationbisbenzylisoquinoline alkaloid;
isoquinolines
quinidinequinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.

Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
griseofulvingriseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.

Griseofulvin: An antifungal agent used in the treatment of TINEA infections.
1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound
antibacterial agent;
Penicillium metabolite
digitoxindigitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain.

Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforinhyperforin : A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum.

hyperforin: a prenylated acylphloroglucinol derivative; antibiotic component of novoimanine; psychoactive agent in St. John's wort; Russian; structure;
epiandrosteroneepiandrosterone : A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.17-oxo steroid;
3beta-hydroxy steroid;
androstanoid
androgen;
human metabolite
nortriptyline hydrochlorideorganic tricyclic compoundgeroprotector
mefloquine hydrochloride
terconazole(2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.

terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).

terconazole: structure & RN for (cis)-isomer from first source
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
hemanthaminealkaloid
carnosolcarnosol: isolated from Lepechinia hastataditerpenoid
physoveninephysovenine: structure given in first sourceindoles
decursindecursin: activates protein kinase C; isolated from the root of Angelica gigas; RN given for (S)-isomer; structure in first sourcecoumarins
decursinoldecursinol : An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7).cyclic ether;
delta-lactone;
organic heterotricyclic compound;
secondary alcohol
analgesic;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
hematoxylinhaematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology.haematoxylin
Girgensoninenitrile
securininesecurinine: a quinolizine pseudoalkaloid (not from amino acid) from Securinega suffurutiosa or Securinini nitrasindolizines
hinokininhinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer).

hinokinin: suppresses expression of both HBsAg and HBeAg
benzodioxoles;
gamma-lactone;
lignan
trypanocidal drug
3-deoxyvasicine3-deoxyvasicine: RN given refers to parent cpdquinazolines
alpha bitter acidhumulon: antibiotic from hops; structurearomatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol
antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite
cyclopaminepiperidinesglioma-associated oncogene inhibitor
yangambinlignan
acriflavineAcriflavine: 3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-acridinediamine. Fluorescent dye used as a local antiseptic and also as a biological stain. It intercalates into nucleic acids thereby inhibiting bacterial and viral replication.
acetylleucyl-leucyl-norleucinalacetylleucyl-leucyl-norleucinal : A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence.

acetylleucyl-leucyl-norleucinal: a proteasome inhibitor
aldehyde;
tripeptide
cysteine protease inhibitor
3-hydroxyaspartic acid, (threo-l)-isomer(3S)-3-hydroxy-L-aspartic acid : The (3S)-diastereomer of 3-hydroxy-L-aspartic acid.3-hydroxy-L-aspartic acidmetabolite
e 3040E 3040: a dual inhibitor of 5-lipoxygenase and thromboxane A2 synthetase; structure given in first sourcebenzothiazoles;
organic hydroxy compound;
pyridines;
secondary amino compound
anti-inflammatory drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
uricosuric drug
phenylalanine arginine beta-naphthylamidephenylalanine arginine beta-naphthylamide: a drug efflux pump inhibitor; structure in first sourcepeptide
L-isoprenalineL-isoprenaline : An optically active phenylethanolamine compound having an isopropyl substituent attached to the nitrogen atom.catecholamine;
phenylethanolamines
beta-adrenergic agonist;
sympathomimetic agent
devazepidedevazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders.

Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding.
1,4-benzodiazepinone;
indolecarboxamide
antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
actinoninactinonin: natural hydroxamic acid, pseudopeptide antibiotic isolated from Streptomyces species; structure
epiafzelechin(-)-epiafzelechin : A catechin derivative having (2R,3R)-configuration.

epiafzelechin: antioxidant; 3'-deoxy form of epicatechin; structure in first source
catechinplant metabolite
1-O-Acetyllycorine1-acetyllycorine: has antiviral activity; structure in first sourcealkaloid
floxacillinobliquine: obliquine is the (3S,4aS,11S,10bS)-isomer; isolated from Cyrtanthus obliquus; structure in first source; do not confuse with obliquinisoquinolines
pseudolycorinepseudolycorine: alkaloid isolated from Narcissus tazetta var. chinensis Roem, N. papyraceus or Lycoris radiata Herb; structure in first sourcephenanthridines
sanguininesanguinine: from Amaryllidaceae; structure in first sourcebenzazepine
lycoraminelycoramine: structure in first sourcebenzazepine
calcium pantothenatepolymer
carubicincarminomycin : A toxic anthracycline antibiotic that is produced by Actinomadura carminata and also has potent antineoplastic activity.aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones
antineoplastic agent;
apoptosis inducer
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochlorideanthracycline
medigoxinMedigoxin: A semisynthetic digitalis glycoside with the general properties of DIGOXIN but more rapid onset of action. Its cardiotonic action is prolonged by its demethylation to DIGOXIN in the liver. It has been used in the treatment of congestive heart failure (HEART FAILURE).cardenolide glycoside
vinpocetinevinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designationalkaloidgeroprotector
amcinonideamcinonide: structure11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal
anti-inflammatory drug
darifenacindarifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
roxithromycinerythromycin derivative;
macrolide;
semisynthetic derivative
antibacterial drug
e-z cinnamic acidcinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.

trans-cinnamic acid : The E (trans) isomer of cinnamic acid
cinnamic acidplant metabolite
trichostatin atrichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCESantibiotic antifungal agent;
hydroxamic acid;
trichostatin
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
tretinoinall-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.

retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).

Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).
retinoic acid;
vitamin A
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
farnesol(2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.

farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.

Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)
farnesolplant metabolite
bms 195614BMS 195614 : A carboxamide resulting from the formal condensation of the carboxy group of 5,5-dimethyl-8-(quinolin-3-yl)-5,6-dihydronaphthalene-2-carboxylic acid with the amino group of p-aminobenzoic acid. It is a neutral retinoic acid receptor (RAR) alpha-selective antagonist (Ki = 2.5 nM). It displays no significant effect on nuclear receptor corepressor (NCoR) binding; moderately decreases SMRT binding to RAR. It antagonizes agonist-induced coactivator (CoA) recruitment.benzoic acids;
quinolines;
secondary carboxamide
retinoic acid receptor alpha antagonist
phosphoramidonphosphoramidon : A dipeptide isolated from the cultures of Streptomyces tanashiensis.

phosphoramidon: a membrane metallo-endopeptidase & endothelin-converting enzyme inhibitor; thermolysin inhibitor from culture filtrate of Streptomyces tanashiensis; structure
deoxyaldohexose phosphate;
dipeptide
bacterial metabolite;
EC 3.4.24.11 (neprilysin) inhibitor;
EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
retinolall-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.

retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).

vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.

Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.
retinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
rwj 37947
bms 961
3-(3-pyridyl)-1-propyl-(2s)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate
oleic acidoleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.

Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed)
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
tacrolimustacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis.

Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.
macrolide lactambacterial metabolite;
immunosuppressive agent
farnesyl pyrophosphate2-trans,6-trans-farnesyl diphosphate : The trans,trans-stereoisomer of farnesyl diphosphate.

farnesyl pyrophosphate: a sesquiterpene that dimerizes to SQUALENE; RN given refers to cpd without isomeric designation
farnesyl diphosphateEscherichia coli metabolite;
mouse metabolite
ferulic acidferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
cocainecocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.

Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid
adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
thapsigarginthapsigargin : An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations.

Thapsigargin: A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES.
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone
calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mycophenolic acidmycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.

mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.

Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol : A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors.

5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol: estrogen receptor ligand; structure in first source
carbotetracyclic compound;
polyphenol
estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
vinyl-l-nio
isofagominepiperidines
pd 166326PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor
t0901317T0901317: an LXRalpha and LXRbeta agonist
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)ureaN-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source
y 27632Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source

Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.
aromatic amide
h 1152(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.isoquinolines;
N-sulfonyldiazepane
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
rolipram(-)-rolipram : The (R)-enantiomer of rolipram.rolipram
adenosine-5'-(n-ethylcarboxamide)Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.

N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.
adenosines;
monocarboxylic acid amide
adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
diethylstilbestroldiethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.

Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)
olefinic compound;
polyphenol
antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
bms 2146627-cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine: a farnesyltransferase inhibitor; structure in first source

BMS-214662 : A member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at positions 1, 3R, 4 and 7, respectively. It is a potent inhibitor of farnesyltransferase (IC50 = 1.35nM) which was under clinical development for the treatment of solid tumors.
benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes
antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine
6-bromoindirubin-3'-oxime6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.

6-bromoindirubin-3'-oxime: structure in first source
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine : A member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively.6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound
antineoplastic agent;
Hsp90 inhibitor
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
arl 17477
alitretinoinAlitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA.retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
mesoprammesopram: a potent & selective type IV phosphodiesterase inhibitor
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
deaminooxytocindemoxytocin : A heterodetic cyclic peptide that is the synthetic analog of the peptide hormone oxytocin where the free amino group in the half-cystine residue is replaced by hydrogen. The mechanism of action and pharmacological properties of demoxytocin and oxytocin are similar. The drug affects the permeability of the cell membrane, increasing the content of calcium ions in smooth muscle cells, thereby increasing its contraction. It stimulates the contraction of smooth muscles of the uterus, as well as stimulating the contraction of myoepithelial cells of the mammary gland, and enhances the secretion of milk.heterodetic cyclic peptideoxytocic
h 89(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.

N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
afimoxifeneafimoxifene : A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen.phenols;
tertiary amino compound
antineoplastic agent;
estrogen receptor antagonist;
metabolite
decitabine2'-deoxyribonucleoside
kt 5720KT 5720 : An organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one.

KT 5720: indolocarbazole; synthetic derivative of K 252a
carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol
EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
valrubicinanthracycline;
trifluoroacetamide
12-deoxyphorbol 13-acetatephorbol estermetabolite
pa 824pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source
ketoconazole(2R,4S)-ketoconazole : A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
wr-142,490(+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
diclazurilnitrile
dactinomycinDactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)actinomycinmutagen
2-methyladenosine2-methyladenosine : A methyladenosine in which the methyl group is located at position 2 on the adenine ring.methyladenosine
melphalanmelphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.

Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound
alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
pd 146626kb-NB165-09: inhibitor of protein kinase D; structure in first source
benzyloxycarbonylleucyl-leucyl-leucine aldehydebenzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor

N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.
amino aldehyde;
carbamate ester;
tripeptide
proteasome inhibitor
ravuconazoleER 30346: structure in first source

ravuconazole : A member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4)
1,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles
antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor
posaconazolearomatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles
trypanocidal drug
ganoderiol fganoderiol F: a ganoderma triterpene from Ganoderma amboinense; structure in first sourcetriterpenoid
rubitecanrubitecan : A pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin.

rubitecan: RN refers to (+-)-isomer; anti-HIV agent; DNA Topoisomerases, Type I inhibitor
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
meso-dihydroguaiaretic acidmeso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta.guaiacols;
lignan
plant metabolite
shikoninshikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activitieshydroxy-1,4-naphthoquinone
8-prenylnaringenin8-prenylnaringenin: a phytogenic antineoplastic agent; structure in first source

sophoraflavanone B : A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8.
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone
plant metabolite;
platelet aggregation inhibitor
glabreneglabrene: structure in first sourceisoflavonoid
glyasperin Dglyasperin D : A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.aromatic ether;
hydroxyisoflavans;
methoxyisoflavan
plant metabolite
licoricidinlicoricidin : A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity.

licoricidin: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source
aromatic ether;
hydroxyisoflavans;
methoxyisoflavan
antibacterial agent;
plant metabolite
2-methyl-5-(4-methylanilino)-1,3-benzothiazole-4,7-dioneaminotoluene
4-(2-oxazolo[4,5-b]pyridinyl)aniline1,3-oxazoles
mg 262MG 262: a proteasome inhibitor
bay 57-1293pritelivir: herpes simplex virus 1 helicase-primase inhibitor
bms-488043BMS-488043: anti-HIV agent
8-isopentenylnaringenin8-isopentenylnaringenin: a non-steroidal phytoestrogen from Anaxagorea luzonensis; structure in first sourceflavanones
isoxanthohumolisoxanthohumol: structure in first sourceflavanones
sodium thiocyanatesodium thiocyanate : An organic sodium salt which is the monosodium salt of thiocyanic acid.

sodium thiocyanate: RN given refers to thiocyanic acid, Na salt
organic sodium salt
sodium bicarbonateSodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.one-carbon compound;
organic sodium salt
antacid;
food anticaking agent
sodium acetate, anhydrousSodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.organic sodium saltNMR chemical shift reference compound
sodium benzoatesodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.

Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.
organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
IPA-3IPA-3 : An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol.naphthols;
organic disulfide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
potassium fluoridepotassium fluoride : A fluoride salt having K+ as the counterion.fluoride salt;
potassium salt
NMR chemical shift reference compound;
poison
6-hydroxyindole6-hydroxyindole: structure in first source
ditiocarb sodiumorganic molecular entity
2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl esterheteroarene
2-chloro-N-(5-methyl-3-isoxazolyl)acetamidearomatic amide
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first sourcearomatic ether
LSM-42773aromatic ketone
olivetoric acidolivetoric acid: isolated from Pseudevernia furfuracea; structure in first sourcecarbonyl compound
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-dithiazoliminedimethoxybenzene
1-(5H-dibenzo[b,f]azepin-5-yl)ethan-1-onedibenzooxazepine
N-benzylquinazolin-4-amineN-benzylquinazolin-4-amine : A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4.benzenes;
quinazolines;
secondary amino compound
artemisin
5-(4-nitrophenyl)-4-phenyl-2-thiazolamineC-nitro compound
idarubicin hydrochlorideanthracycline
pirarubicin hydrochlorideanthracycline
niflumic acidstrictifolione: structure in first source
boswellic acid
hydroxyphenethylferulatehydroxyphenethylferulate: from the roots of Atropa acuminata (Solanaceae); structure in first sourcehydroxycinnamic acid
cinnamaldehyde(E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.

3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.
3-phenylprop-2-enal;
cinnamaldehydes
antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
2-hydroxycinnamic acid2-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring.

trans-2-coumaric acid : The trans-isomer of 2-coumaric acid.
2-coumaric acid;
phenols
antioxidant;
metabolite
3-coumaric acid3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring.

3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline

trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.
3-coumaric acid
trans-4-coumaric acid4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.

hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.

trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.
4-coumaric acidfood component;
mouse metabolite;
plant metabolite
teucrolteucrol: from Teucrium pilosum; structure in first source
fumaronitrile
retinaldehydeall-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry.

Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer.
retinal;
vitamin A
gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite
piperinepiperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide
food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
isoliquiritigeninchalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
propolin cnymphaeol A : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.

propolin C: a PAK1 inhibitor; from Taiwanese propolis; structure in first source
4'-hydroxyflavanones;
tetrahydroxyflavanone
metabolite;
radical scavenger
xanthohumolxanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.

xanthohumol: from hop plant, Humulus lupulus
aromatic ether;
chalcones;
polyphenol
anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
4-stilbazole4-stilbazole: RN given refers to parent cpd; structure
xanthoangelolxanthoangelol: from Angelica keiskei; structure given in first source; RN given refers to (E,E)-isomer
alpha-cyanocinnamatealpha-cyanocinnamate: RN given refers to cpd without isomeric designation
Methylenedioxycinnamic acidhydroxycinnamic acid
arginine vasopressinArginine Vasopressin: The predominant form of mammalian antidiuretic hormone. It is a nonapeptide containing an ARGININE at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. Arg-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.

argipressin : The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6.
vasopressincardiovascular drug;
hematologic agent;
mitogen
cgp 60474substituted aniline
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
calmidazoliumcalmidazolium chloride : The organic choride salt of calmidazolium.organic chloride saltapoptosis inducer;
calmodulin antagonist
9-methyl-6H-benzo[c][1,2]benzothiazine 5,5-dioxidebenzothiazine
5-hydroxy-N,N-dimethyl-2-phenyl-3-benzofurancarboxamidebenzofurans
N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamideanilide
2-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-oneheteroarene
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamideaminoquinoline
N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamideanilide
2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrilebenzenes
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamideanilide
N-cyclopropyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamidesulfonamide
N-[3-(trifluoromethyl)phenyl]-4-quinazolinaminequinazolines
1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanaminearomatic amine
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamidepiperazines
2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamidequinazolines
1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazinepiperazines
1-[(1-cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazinepiperazines
cefsulodincefsulodin : A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic.

Cefsulodin: A pyridinium-substituted semisynthetic, broad-spectrum antibacterial used especially for Pseudomonas infections in debilitated patients.
cephalosporin;
organosulfonic acid;
primary carboxamide
antibacterial drug
omapatrilatomapatrilat: structure in first sourcedipeptide
lanatoside clanatoside C: RN given refers to (3beta,5beta,12beta)-isomer
polidocanolpolidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group.

Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS.
hydroxypolyetherhepatotoxic agent;
nonionic surfactant;
sclerotherapy agent
cefsulodin sodiumorganic molecular entity
iaa 94indanones
Reactive blue 2anthraquinone
(2'-(benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide)biphenyls
xe 991, anthracenone10,10-bis(4-pyridinylmethyl)-9(10H)-anthracenone: neurotransmitter release enhancer and potassium channel blocker; structure given in first sourceanthracenes
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one5,6-dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one: stimulates Cl- secretion in the mouse jejunumdichlorobenzene
prednisolone hemisuccinateprednisolone hemisuccinate: RN given refers to (11 beta)-isomer

prednisolone succinate : A hemisuccinate resulting from the formal condensation of the 21-hydroxy group prednisolone with one of the carboxy groups of succinic acid. It is used to treat mild to moderate non-infectious eye allergies and inflammation, including damage caused by chemical and thermal burns.
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone
anti-inflammatory drug
cyclic nucleotide phosphodiesterases, type 4
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamidesulfonamide
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
methamilane methiodide
physostigmine salicylateazaheterocycle salicylate salt;
salicylates
n(6)-cyclopentyladenosine
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamidearomatic amide
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,2-bis(trifluoromethyl)butanamidearomatic amide
5-bromo-3-ethyl-1H-indole-2-carboxylic acidindolyl carboxylic acid
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamideanilide
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanoldichlorobenzene
1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanonebenzoxadiazole
1-[1-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamidepyrrolidines
N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl esterdichlorobenzene
7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dionepiperazines
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamidearomatic amide;
furans
dienestroldienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.

Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.
doxepin hydrochloride
mercaptopurinemercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.

Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.

purine-6-thiol : A thiol that is the tautomer of mercaptopurine.
aryl thiol;
purines;
thiocarbonyl compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent
etodolac, (-)-isomer(R)-etodolac : The R-enantiomer of etodolac. It is inactive, in contrast to the enantiomer, (S)-etodolac, which is a preferential inhibitor of cyclo-oxygenase 2 and a non-steroidal anti-inflammatory. The racemate is commonly used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain.etodolac
ag-213tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells;
3,3',4,5'-tetrahydroxystilbene3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer

piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.
catechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thionearomatic ether
3,4-methylenedioxy-beta-nitrostyrene3,4-methylenedioxy-beta-nitrostyrene: tyrosine kinase inhibitor that prevents platelet glycoprotein IIb/IIIa activation; structure in first source
phenylthioureaN-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.

Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.
thioureasEC 1.14.18.1 (tyrosinase) inhibitor
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide: a vanilloid receptor 1 antagonist and antihyperalgesic agent; structure in first source
sch-202676SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source
4-methoxy-N-(3-pyridinylmethyl)benzamidebenzamides
caffeic acidtrans-caffeic acid : The trans-isomer of caffeic acid.caffeic acidgeroprotector;
mouse metabolite
methyl caffeatemethyl caffeate : An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol.

methyl caffeate: from plant Gaillardia pulchella
alkyl caffeate ester;
methyl ester
3-(4-methylbenzoyl)acrylic acidcarbonyl compound
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diaminearalkylamine
n-phenyl-n'-2-pyridylthioureaN-phenyl-N'-2-pyridylthiourea: structure in first source
4-chloro-1-methyl-3-nitro-2-quinolinonenitro compound;
quinolines
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenolmethoxybenzenes;
phenols
4-[(4-chloro-5-dithiazolylidene)amino]benzonitrilebenzenes;
nitrile
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazoliminemethoxybenzenes;
substituted aniline
3-(3,4-dimethoxyphenyl)propenoic acid3-(3,4-dimethoxyphenyl)propenoic acid: structure given in first source; RN given refers to parent cpd

3,4-dimethoxycinnamic acid : A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.
methoxycinnamic acid
10-methyl-3-phenothiazinaminephenothiazines
phenylthiazolylthioureaPhenylthiazolylthiourea: A dopamine-beta-hydroxylase inhibitor.
vu0038882VU0038882: structure in first source
2-(thiophen-2-ylmethylidene)indene-1,3-dionecyclic ketone;
indanones
N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-furancarboxamidearomatic amide;
heteroarene
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl esteraromatic amine;
thiophenes
1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ureaureas
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenolsubstituted aniline
cid755673CID755673: a potent and selective inhibitor of protein kinase D; structure in first sourcebenzofurans
2,4,6-trimethyl-n-(meta-3-trifluoromethylphenyl)benzenesulfonamide2,4,6-trimethyl-N-(meta-3-trifluoromethylphenyl)benzenesulfonamide: stimulates phospholipase C; structure in first sourcesulfonamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamidenaphthalenecarboxamide
1-(3-nitrophenyl)-3-phenyl-2-propyn-1-onearomatic compound
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamidebenzamides
3-chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dionemaleimides
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazolearomatic ether
4-chloro-1-ethyl-3-nitro-2-quinolinonenitro compound;
quinolines
3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazolenaphthalenes;
sulfonic acid derivative
5-(4-chlorophenyl)-2-furanpropionic acid5-(4-chlorophenyl)-2-furanpropionic acid: related to orpanoxin; structure given in first source
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamideisoquinolines
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) estertoluenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)benzimidazoles
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-onepyrazoles;
ring assembly
4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol]sulfonic acid derivative
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-iminebenzothiazoles
10,11-dihydroxy-n-allylnoraporphine10,11-dihydroxy-N-allylnoraporphine: RN refers to (R)-isomer; structure given in first sourceaporphine alkaloid
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamidesulfonamide
5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) esterpyrazoles;
ring assembly
isoeugenoltrans-isoeugenol : The trans-stereoisomer of isoeugenol.isoeugenolplant metabolite
6-amino-2-mercaptobenzothiazole
n-phenyl-n'-3-hydroxyphenylthiourea
huperzine aorganic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite
N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]acetamideacetamides;
aromatic amide
5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-onecoumarins
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamidethioureas
deltoindeltoin: from Saposhnikovia divaricata (Fang Feng in Chinese); structure in first sourcefuranocoumarin
7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl estercoumarins
7,8-dichloropyrido[1,2-a]benzimidazolepyridobenzimidazole
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamidearomatic ether
flunarizineFlunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.diarylmethane
thiothixene
curcumincurcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.

Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.
aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol
anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thioureathioureas
4-(2-naphthalenyloxymethyl)-2-thiazolaminenaphthalenes
1-(4-bromophenyl)-3-(2-fluorophenyl)thioureathioureas
1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thioureathioureas
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamidesulfonamide
cct018159CCT-018159 : A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively.

CCT018159: structure in first source
benzodioxine;
pyrazoles;
resorcinols
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamideimidazoles
ica-121431ICA-121431: structure in first source
tenovin-1tenovin-1: a SIRT1 inhibitor with antineoplastic activity; structure in first sourcethioureas
3-(n-benzylsulfamoyl)-4-bromo-n-(4-bromophenyl)benzamide3-(N-benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide: stimulates RAD51 DNA-binding activity to promote cancer cell death; structure in first source
3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1h-pyrrole-2,5-dione3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1H-pyrrole-2,5-dione: an inhibitor of RAD51 that disrupts homologous recombination in human cells; structure in first source
2-[2-oxo-2-(2,2,4,6-tetramethyl-1-quinolinyl)ethyl]isoindole-1,3-dionequinolines
[2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
hc 0300312-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker
eggmanoneeggmanone: a phosphodiesterase-4 inhibitor; structure in first source
iwr-1 exoIWR-1-exo : A dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo.bridged compound;
dicarboximide
axin stabilizer
n-(1,3-benzothiazol-2-yl)-n-(4,5-dihydro-1h-imidazol-2-yl)amineN-(1,3-benzothiazol-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine: structure in first source
N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazidecarbohydrazide;
pyrazines
2',4',6'-Trihydroxydihydrochalconechalcones
3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphenyl)-2-pyridone : A member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectivelybromophenol;
nitrile;
pyridone
2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl esteraromatic carboxylic acid;
thiazoles
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamidearomatic amide
5-(4-ethylbenzylidene)-2-thioxothiazolidin-4-one
thiohydantoinsThiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups.
vu0405601VU0405601: reduces sensitivity of hERG to inhibition by multiple blockers and prevents arrhythmias; structure in first source
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamidearomatic ether
darunavir ethanolatephenothiazines
1-(4-bromophenyl)-3-(3-methylbutyl)thioureathioureas
3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide3-(1-azepanylsulfonyl)-N-(3-bromphenyl)benzamide: a sirtuin 2 inhibitor; structure in first source
N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamidebenzimidazoles
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamidearyl sulfide
2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazolebenzothiazoles
2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrilebenzimidazoles
8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-iminequinolines
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamidequinazolines
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamidearomatic amide;
furans
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimineorganochlorine compound
Src Inhibitor-1Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.aromatic ether;
polyether;
quinazolines;
secondary amino compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid: has been shown to exhibit unprecedented positive allosteric activity for ACh binding as well as inherent agonist activity at the M1 muscarinic receptor; structure in first source
4-[(2-chloro-5-thiazolyl)methylthio]benzoic acidsulfanylbenzoic acid
N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] esteraromatic ketone
(4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
6-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-onebenzothiazoles
2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanonearomatic ketone
sulindacsulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.

Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.
monocarboxylic acid;
organofluorine compound;
sulfoxide
analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
capsaicinALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief

capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
enclomipheneEnclomiphene: The trans or (E)-isomer of clomiphene.
zuclomipheneZuclomiphene: The cis or (Z)-isomer of clomiphene.stilbenoid
fluoxetine(S)-fluoxetine : An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine].N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineantidepressant;
serotonin uptake inhibitor
n-(fluorenyl-9-methoxycarbonyl)leucineN-(fluorenyl-9-methoxycarbonyl)leucine: a leumedin; RN given for (L)-isomer
1-phenyl-2-nitropropene1-phenyl-2-nitropropene: RN given refers to cpd without isomeric designation
3-(4-methoxyphenyl)-2-propenoic acid 3-methylbutyl ester3-(4-methoxyphenyl)-2-propenoic acid 3-methylbutyl ester: RN given in first source
cyqualon
SMER 28SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy.organobromine compound;
quinazolines;
secondary amino compound
autophagy inducer
ac 556494'-octyl-4-biphenylcarboxylic acid: an RAR beta2 agonist; structure in first sourcebiphenyls;
carboxybiphenyl
4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamidebenzoic acids
5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl esteraromatic amide;
thiophenes
N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidemethoxybenzenes
N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamidebenzoic acids
chlorogenic acidcaffeoylquinic acid: Antiviral Agent; structure in first source

chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.
cinnamate ester;
tannin
food component;
plant metabolite
3-(3-hydroxypropylamino)-7-methyl-1-(pentylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
tg 003TG 003: a Clk inhibitor; structure in first source
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
amn082N,N'-bis(diphenylmethyl)ethane-1,2-diamine : A diamine that is ethane-1,2-diamine in which both amino groups are substituted by diphenylmethyl groups. It is an allosteric agonist of the metabotropic glutamate receptor 7 (mGluR7).benzenes;
diamine;
diarylmethane;
secondary amino compound
metabotropic glutamate receptor agonist;
neuroprotective agent
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrilearomatic ketone
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneindoles
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylanilinearomatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazolearomatic ether
N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide1,3-oxazoles
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-aminepyrimido-indole
3-(1-benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazolebenzotriazoles;
triazolothiadiazole
2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-onearyl sulfide
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamidesulfonamide
N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamidepyrazoles;
ring assembly
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamidepyrazoles;
ring assembly
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamidepyrazoles;
ring assembly
2-methyl-3-[oxo(thiophen-2-yl)methyl]-1-indolizinecarboxaldehydeindolizines
6-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4H-1,4-benzoxazin-3-onebenzoxazine
N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamidequinolines
4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamidesulfonamide
4-[ethyl-(phenylmethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamidesulfonamide
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thioureaindoles
thiocyanic acid [2-(1-naphthalenyl)-2-oxoethyl] esternaphthalenes
mcb-613cyclic ketone;
enone;
pyridines
antineoplastic agent;
steroid receptor coactivator stimulator
4-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamidesulfonamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamidesulfonamide
N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamidecarbonyl compound;
organohalogen compound
1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanonequinolines
4-methyl-N-(2-phenylphenyl)-3-(phenylsulfamoyl)benzamidebenzamides
2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acidbenzamides
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trionearomatic ether;
C-nitro compound
N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamidefatty amide
N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-phenyl-4-quinolinecarboxamidequinolines
2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolaminearyl sulfide
7-methyl-3-(phenylhydrazo)-1,5-benzodiazepin-2-onephenylhydrazines
3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamidepyrazoles;
ring assembly
2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-onesulfonamide
2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamidebenzamides
2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanonearomatic ketone
4-[(1-methyl-5-tetrazolyl)thio]-5-phenylthieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamidequinolines
N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamidepyrazines;
secondary carboxamide
2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamidearyl sulfide
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamidearomatic amide;
thiophenes
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanonepiperazines
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamidequinazolines
3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] esterindolyl carboxylic acid
7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinonearomatic ketone
tacrine hydrochloride
formic acid, sodium saltsodium formate : An organic sodium salt which is the monosodium salt of formic acid.organic sodium saltastringent;
buffer
5-chloro-2-mercaptobenzothiazole
indigo carmineindigo carmine : An organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow.

Indigo Carmine: Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk.
benzoylarginine nitroanilide
digoxindigoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.

Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666)
cardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
malachite green
quinacrine monohydrochloride
5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrilesubstituted aniline
mecysteine hydrochloridealpha-amino acid ester
n(6)-(1-iminoethyl)lysineN(6)-acetimidoyl-L-lysine : An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by an acetimidoyl groupL-lysine derivative;
non-proteinogenic L-alpha-amino acid
tamoxifen citratecitrate saltangiogenesis inhibitor;
anticoronaviral agent
tamoxifenstilbenoid;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
tetraoctylammonium bromidetetraoctylammonium bromide: a phase transfer reagent
1-methyl-3-octylimidazolium chloride1-methyl-3-octylimidazolium chloride: use as an ionic liquid solution

3-methyl-1-octylimidazolium chloride : An organic chloride salt in which the cationic component is 3-methyl-1-octylimidazolium.
organic chloride salt
1-hexadecyl-3-methylimidazolium chloride1-hexadecyl-3-methylimidazolium chloride: structure in first source
1-octyl-3-methylimidazolium hexafluorophosphate1-octyl-3-methylimidazolium hexafluorophosphate: is a nonaqueous ionic liquid
pyrazole-1-carboxamidinepyrazole-1-carboxamidine: structure given in first source
8-azidoadenosine 5'-triphosphate
Betaine Aldehyde Chloridequaternary ammonium salt
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acidbenzenes
4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine : A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively.aminopyrimidine;
isoxazoles
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamideanilide
2,4-dithiobiuret2,4-dithiobiuret: structure
3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thionedichlorobenzene
jnj-5207852
stattic1-benzothiophenes;
C-nitro compound;
sulfone
antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor
6-Chlorobenzo[d]isoxazol-3-olbenzisoxazole
cgp 74514a
6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine6-methoxy-3-nitro-2-(phenylsulfonyl)pyridine: inhibitor of SARS-CoV main protease; structure in first sourcesulfonic acid derivativeanticoronaviral agent
3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridinepyridines;
pyrrolidines
N'-(4-tert-butyl-2-thiazolyl)-4-chlorobenzohydrazidecarbonyl compound;
organohalogen compound
6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl esterureas
2-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl esteraromatic amide;
furans
1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dioneanthraquinone
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole: an amyloid imaging agent; structure in first source
sirtinolaldimine;
benzamides;
naphthols
anti-inflammatory agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Sir2 inhibitor
2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] estermonoterpenoid
2-(4-pentylphenyl)acetic acidbenzenes
1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dionepyrrolidines
1-hexadecyl-3-methylimidazolium bromide1-hexadecyl-3-methylimidazolium bromide: structure in first source
1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dionepyrrolidines
nemadipine-anemadipine-A : A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying.

nemadipine-A: structure in first source
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
pentafluorobenzenes
calcium channel blocker
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl esterpyrazoles;
ring assembly
2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrilepyrrolidines
4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl esteramidobenzoic acid
1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanonequinolines
kl001KL001: inhibits degradation of the cryptochrome; structure in first source
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dioneisoquinolines
N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamidebenzimidazoles
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamidesulfonamide
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzeneBRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).C-nitro compound;
sulfonamide;
toluenes
bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector
5-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acidthiophenecarboxylic acid
3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide1-benzothiophenes
2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acidpyrrolidines
N-[4-[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamidearomatic amide;
furans
4-[hydroxy(diphenyl)methyl]-N-(2-phenylethyl)-1-piperidinecarbothioamidediarylmethane
2-[[[4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acidbenzamides
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamidebenzamides
4-[[2-(4-ethyl-3-oxo-2-morpholinyl)-1-oxoethyl]amino]benzoic acid ethyl esteramidobenzoic acid
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamidediarylmethane
5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinolorganochlorine compound;
quinolines
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamidearomatic amide;
thiophenes
[3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanonebenzoic acids
4-[[3-[(4-chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]-1-piperidinecarboxylic acid ethyl esterquinoxaline derivative
1-(4-methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazinepiperazines
cb 7969312organochlorine compound;
quinolines
monastrol(S)-monastrol : An ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration.

ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate : A member of the class of thioureas that is 3,4-dihydropyrimidine-2(1)-thione substituted by a 3-hydroxyphenyl group at position 4, an ethoxycarbonyl group at position 5, and a methyl group at position 6.

monastrol : A racemate comprising equimolar amounts of R- and S-monastrol.

monastrol: stops mitosis by fostering formation of monopolar spindles; structure in first source
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas
antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor
1-(2-methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazoletetrazoles
zeranolZeranol: A non-steroidal estrogen analog.macrolide
2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrilequinazolines
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dionepyrroles
2-acetylpyridine-(4-phenylthiosemicarbazone)2-acetylpyridine-(4-phenylthiosemicarbazone): structure given in first source
Ganodermanontrioltriterpenoidmetabolite
thiambutosinethiambutosine: thiourea antileprotic agent used in patients who cannot tolerate sulfones; minor descriptor (77-85); on-line & Index Medicus PHENYLTHIOUREA/AA (77-85)
hmr 3647
maraviroctropane alkaloid
LSM-1318oxa-steroid
1,4-dimethoxy-10H-acridine-9-thioneacridines
u 0126U 0126: protein kinase kinase inhibitor; structure in first sourcearyl sulfide;
dinitrile;
enamine;
substituted aniline
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
telaprevircyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
l 783281L 783281: structure in first source
4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2h)-pyridazinone4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone: RN & structure given in first source
tetomilast
6-methyl-2-(phenylethynyl)pyridine2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.

6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist
acetylenic compound;
methylpyridines
anxiolytic drug;
metabotropic glutamate receptor antagonist
bms 387032N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source

N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties.
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
timiperonetimiperone: structurearomatic ketone
dolasetronindolyl carboxylic acid
zuclomifene citrate
almokalantalmokalant: structure given in first source
rtki cpdRTKI cpd: preferentially inhibits human glioma cells expressing truncated rather than wild-type epidermal growth factor receptors
omephineomephine: do not confuse with omifin, synonym to clomiphene dihydrogen citrate; structure in Negwer, 5th ed, #2964
3-hydroxymexiletine3-hydroxymexiletine: metabolite of mexiletine; structure given in first source
sr 11217SR 11217: structure given in first source
glyceryl nonivamideN-(4-O-glycerol-3-methoxybenzyl)nonivamide: structure given in first source
sf 2370K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a

SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source
bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound
antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist
alpha-hydroxytamoxifenalpha-hydroxytamoxifen: structure in first sourcestilbenoid
n,n'-4-xylylenebis(pyridinium)
6-thioinosine-5'-triphosphateorganic molecule
biricodarbiricodar: a non-macrocyclic ligand for FKBP12; structure in first sourcealpha-amino acid ester
opc 51803OPC 51803: a nonpeptide vasopressin V(2)-agonist; structure in first source
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
adenosine-5'-(N-propyl)carboxamideadenosine-5'-(N-propyl)carboxamide : A monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.adenosines;
monocarboxylic acid amide
azilect
rasagilineindanes;
secondary amine;
terminal acetylenic compound
EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
trequinsin hydrochloride
dasatinibdasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).

N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
ha 1100HA 1100: intracellular calcium antagonist
emetine dihydrochlorideemetine dihydrochloride : The dihydrochloride salt of emetine.

emetine dihydrochloride hydrate : A hydrate that is the monohydrate of the dihydrochloride salt of emetine.
hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor
7-epi-hydroxystaurosporine
oxalylglycineN-oxalylglycine : An amino dicarboxylic acid that is iminodiacetic acid with an oxo substituent. It is used as an inhibitor of alpha-ketoglutarate dependent (EC 1.14.11.*) enzymes.

oxalylglycine: structure given in first source
amino dicarboxylic acid;
N-acylglycine
EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
atractylonatractylon: from Atractylodes rhizomes; has antihepatotoxic activity; structure given in first sourcesesquiterpenoid
arginyl-glycyl-aspartyl-phenylalanine
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
desmethylanethol trithionedesmethylanethol trithione: metabolite of anethol trithione; structure given in first source
benzyltetrahydropalmatine
via 2291atreleuton: structure given in first source
N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamidearyl sulfide
N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamideorganonitrogen compound;
organooxygen compound
(3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanonecarbonyl compound;
organohalogen compound
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acidphenylpyridine
2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl esterindoles
N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyanilinetriazoles
3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamideC-nitro compound
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamidearomatic amide
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamidephenothiazines
ml106ML106: imidazobenzimidazole, inhibits melanin synthesis; structure in first sourcequinazolines
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamidethiazoles
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl estercarboxylic acid;
piperidines
2-(3-phenyl-1-indazolyl)acetic acid methyl esteralpha-amino acid ester
5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
cambinolcambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea : A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor.

N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a 5-HT(2B) receptor antagonist; structure given in first source
1,2-thiazoles;
indoles;
ureas
receptor modulator;
serotonergic antagonist
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] esterC-nitro compound;
thiophenes
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamidetetralins
1,8-dinitro-4,5-dihydroxyanthraquinone1,8-dinitro-4,5-dihydroxyanthraquinone: structure in first source
gtp 14564pyrazoles;
ring assembly
sb 218078indolocarbazole
fh535FH535: inhibits Wnt signalingsulfonamide
sto 609STO 609: structure in first sourcenaphthoic acid
1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]ureaureas
ro 41-0960
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamidequinolines
cgp 13501CGP 13501: structure in first sourcealkylbenzene
1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dionepyrrolidines
N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamideanilide
7-(5-bromo-2-fluorophenyl)-5-(4-bromophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidinetriazolopyrimidines
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamideC-nitro compound;
thiophenes
8-(Trifluoromethyl)-9H-purin-6-amine6-aminopurinesanticoronaviral agent
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazinepyrroles
sb 2420846-chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline: 5-HT(2C) receptor inverse agonist (antagonist); structure in first source
l 6635363-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.

MK-886: orally active leukotriene biosynthesis inhibitor
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
illudalic acidilludalic acid: isolated from Clitocybe illudens; structure in first source
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazoleimidazoles
2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl esteralpha-amino acid ester
ungeremineorganic molecular entitymetabolite
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridinepyrazoles;
ring assembly
3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamideC-nitro compound
N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamidebenzamides
1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]ureaureas
2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrilebipyridines
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-onebenzimidazoles
1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thioureaphenylhydrazines
(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanoneN-arylpiperazine
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor

TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease.
benzenes;
thiadiazolidine
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
tripropylene glycol diacrylatetripropylene glycol diacrylate: a component of UV-Cured Lacquer; structure given in first source
2-amino-3-phenylmethoxybutanedioic acidaspartic acid derivative
1-(3,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thioureathioureas
3-hydroxy-2-methyl-4h-pyran-4-thione3-hydroxy-2-methyl-4H-pyran-4-thione: inhibits Bla2 beta-lactamase; structure in first source
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazolebenzimidazoles
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamidecarbonyl compound;
organohalogen compound
LY-310762aromatic ketone;
monofluorobenzenes;
oxindoles;
piperidines;
tertiary amino compound
receptor modulator;
serotonergic antagonist
bw 723c86tryptamines
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamidesulfonamide
N-[4-[(1,2-dimethyl-5-indolyl)methylsulfamoyl]phenyl]acetamidesulfonamide
sitagliptinsitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.triazolopyrazine;
trifluorobenzene
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
pd 407824
ver-490095-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide : An aromatic amide obtained by formal condensation of the carboxy group of 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)pyrazole-3-carboxylic acid with the amino group of ethylamine.

VER-49009: inhibits heat shock protein 90 molecular chaperone; structure in first source
aromatic amide;
monochlorobenzenes;
monomethoxybenzene;
pyrazoles;
resorcinols
Hsp90 inhibitor
2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
4-chloro-N-(1,3,4-thiadiazol-2-yl)-5-dithiazolimineorganochlorine compound
LSM-16446pyridopyrimidine
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
4-hydroxy-5-methyl-3(2h)-furanone4-hydroxy-5-methyl-3-furanone : A member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3.cyclic ketone;
enol;
furans
metabolite
ly 367265LY 367265: a 5-hydroxytryptamine transporter inhibitor; a 5-HT(2A) receptor antagonist; structure in first source

LY-367,265 : A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM).
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline
antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamidetetralins
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] esterC-nitro compound;
thiophenes
tolcaponetolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.

Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated.
2-nitrophenols;
benzophenones;
catechols
antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
5-Nitroisatinindolesanticoronaviral agent
1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]ureaureas
3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-(5-methyl-2-thiazolyl)benzamidesulfonamide
2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamidebenzoic acids
5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]oneorganonitrogen compound;
organooxygen compound
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)ureaureas
N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamidenaphthalenes
LSM-4833quinolines
N-(4-Nitro-1,2,5-oxadiazol-3-yl)-2-pyridin-2-ylsulfanylacetamidearomatic amideanticoronaviral agent
np 1188091-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source
alsterpaullonealsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.

alsterpaullone: structure in first source
C-nitro compound;
caprolactams;
organic heterotetracyclic compound
anti-HIV-1 agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor
diclofenac sodiumdiclofenac sodium : The sodium salt of diclofenac.

Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.
organic sodium salt
cgp 79302,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first sourcealkylbenzene
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate : An organophosphate oxoanion obtained by deprotonation of the phospho and sulfo groups of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid.organophosphate oxoanion;
organosulfonate oxoanion
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo.phenols;
pyrazoles
estrogen receptor agonist
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamidesulfonamide
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
ex 5276-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source
carbazoles;
monocarboxylic acid amide;
organochlorine compound
2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanonepiperazines
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamidedichlorobenzene
sodium hexafluorophosphatesodium hexafluorophosphate : An inorganic sodium salt having hexafluorophosphate(1-) as the counterion. It is an electrolyte used in sodium-ion batteries.inorganic sodium salt
4,5,6,7-tetrabromobenzimidazole4,5,6,7-tetrabromobenzimidazole: structure in first source
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-yleminepyrazolopyrimidinetyrosine kinase inhibitor
4-[[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl esterbenzoate ester
sib 1757SIB 1757: a selective mGluR5 antagonist; structure in first source
sodium butyrateorganic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
brl 52537acetamides
diethyl maleatediethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.ethyl ester;
maleate ester
glutathione depleting agent
dibutyl maleate
ginkgetinginkgetin : A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2.

ginkgetin: from Cephalotaxus drupacea; biflavone; active against HSV-1; structure given in first source
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly
anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
benzyl cinnamatebenzyl cinnamate : The cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent.

benzyl cinnamate: structure in first source
cinnamate esterantigen;
epitope;
fixative;
flavouring agent;
fragrance
calceolarioside acalceolarioside A: structure given in first source; isolated from Calceolaria hypericina; induces platelet aggregationhydroxycinnamic acid
calceolarioside bcalceorioside B: a cardioprotective agent isolated from Akebia; structure in first sourcehydroxycinnamic acidmetabolite
5,6-dehydrokawain5,6-dehydrokawain: from Alpinia speciosa rhizoma; RN given for cpd without isomeric designation; structure given in first source2-pyranones;
aromatic ether
sq 109N-geranyl-N'-(2-adamantyl)ethane-1,2-diamine: has antitubercular activity
ku 559332-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one: specific inhibitor of the ataxia-telangiectasia mutated kinase ATM; structure in first source
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin4'-methoxyisoflavones;
7-hydroxyisoflavones
phytoestrogen;
plant metabolite
leukotriene a4leukotriene A4 : A leukotriene that is the (5S,6S)-epoxy derivative of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid.

Leukotriene A4: (2S-(2 alpha,3 beta(1E,3E,5Z,8Z)))-3-(1,3,5,8-Tetradecatetraenyl)oxiranebutanoic acid. An unstable allylic epoxide, formed from the immediate precursor 5-HPETE via the stereospecific removal of a proton at C-10 and dehydration. Its biological actions are determined primarily by its metabolites, i.e., LEUKOTRIENE B4 and cysteinyl-leukotrienes. Alternatively, leukotriene A4 is converted into LEUKOTRIENE C4 by glutathione-S-transferase or into 5,6-di-HETE by the epoxide-hydrolase. (From Dictionary of Prostaglandins and Related Compounds, 1990)
epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid
human metabolite;
mouse metabolite;
plant metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone3,7-dimethoxy-5,3',4'-trihydroxyflavone: isolated from Veronia eremophila; structure given in first source

3',4',5-trihydroxy-3,7-dimethoxyflavone : A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin.
dimethoxyflavone;
trihydroxyflavone
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor;
metabolite
acacetin5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin.dihydroxyflavone;
monomethoxyflavone
anticonvulsant;
plant metabolite
apigeninChamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.trihydroxyflavoneantineoplastic agent;
metabolite
luteolin3'-hydroxyflavonoid;
tetrahydroxyflavone
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
scopoletinhydroxycoumarinplant growth regulator;
plant metabolite
hymecromoneHymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
daphnetinhydroxycoumarin
5'-o-caffeoylquinic acidtrans-5-O-caffeoyl-D-quinic acid : A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid.cinnamate ester;
cyclitol carboxylic acid
plant metabolite
gossypetingossypetin : A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions.

gossypetin: inhibits activity of penicillinase enzyme in E coli
7-hydroxyflavonol;
hexahydroxyflavone
plant metabolite
15-keto-5,8,11,13-eicosatetraenoic acid15-keto-5,8,11,13-eicosatetraenoic acid: RN given refers to (E,Z,Z,Z)-isomer; RN for cpd without isomeric designation not available 3/88

15-oxo-ETE : An oxoicosatetraenoic acid having (5Z,8Z,11Z,13E) double bond stereochemistry, and an oxo group in position 15.
oxoicosatetraenoic acidhuman metabolite
apigetrinapigenin 7-O-beta-D-glucoside : A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

apigetrin: structure given in first source
beta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative
antibacterial agent;
metabolite;
non-steroidal anti-inflammatory drug
5-hydroxy-6,8,11,14-eicosatetraenoic acid5-HETE : A HETE having a 5-hydroxy group and (6E)-, (8Z)-, (11Z)- and (14Z)-double bonds.

5(S)-HETE : A HETE having a (5S)-hydroxy group and (6E)-, (8Z)-, (11Z)- and (14Z)-double bonds.
HETEhuman metabolite;
mouse metabolite
cyclosporine
bryostatin 1acetate ester;
bryostatins;
cyclic hemiketal;
enoate ester;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol
alpha-secretase activator;
anti-HIV-1 agent;
antineoplastic agent;
marine metabolite;
protein kinase C agonist
quercetin 3-o-glucopyranosidequercetin 3-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells

quercetin 3-O-glucopyranoside: structure in first source
beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
rutinHydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone
antioxidant;
metabolite
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
zeaxanthinZeaxanthins: Carotenoids found in fruits and vegetables. Zeaxanthin accumulates in the MACULA LUTEA.carotenolantioxidant;
bacterial metabolite;
cofactor
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
amphotericin bamphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.

Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic
antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
pulmicortbudesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.

Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone
anti-inflammatory drug;
bronchodilator agent;
drug allergen
prochlorperazine maleatemaleate salt
pyrviniumpyrvinium : A quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents.

pyrvinium: RN given refers to parent cpd; synonyms vanquin & vankin refer to pamoate[2:1]; structure in Merck Index, 9th ed, #7810
quinolinium ionanthelminthic drug;
antineoplastic agent
montelukastmontelukast: a leukotriene D4 receptor antagonistaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
entacaponeentacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.

entacapone: structure given in first source
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
aureusidinaureusidin : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 4, 6, 3' and 4' respectively.

aureusidin: structure in first source
hydroxyauroneplant metabolite
buteinchalcones;
polyphenol
antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
hispidolhispidol : A hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively.hydroxyauroneplant metabolite
sulfuretinsulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl1-benzofurans
Rhynchophyllineindolizinesmetabolite
7-hydroxycoumarin7-oxycoumarin: derivatives have anti-oxidant properties

umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.
hydroxycoumarinfluorescent probe;
food component;
plant metabolite
yangoninyangonin: structure in first source2-pyranones;
aromatic ether
zearalenonezearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.

Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.
macrolide;
resorcinols
fungal metabolite;
mycoestrogen
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
azaleatinazaleatin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group.7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone
plant metabolite
baicaleintrihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
chrysinchrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.7-hydroxyflavonol;
dihydroxyflavone
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
cupressuflavonecupressuflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-8 of the two chromene rings respectively. Isolated from Cupressus sempervirens and Juniperus occidentalis, it exhibits free radical scavenging and antielastase activities.

cupressuflavone: from Cupressus macrocarpa; structure in first source
biflavonoid;
hydroxyflavone;
ring assembly
EC 3.4.21.37 (leukocyte elastase) inhibitor;
metabolite;
radical scavenger
datiscetindatiscetin : A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.7-hydroxyflavonol;
tetrahydroxyflavone
fisetin3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone
anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source

galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.
7-hydroxyflavonol;
trihydroxyflavone
antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
demethylbellidifolinbellidin : A member of the class of xanthones that is xanthone which is substituted by hydroxy groups at positions 1, 3, 5, and 8. A natural product found particularly in Iris nigricans and Gentiana campestris.

demethylbellidifolin: protects the myocardium against damage due to ischemia-reperfusion in rats
tetrol;
xanthones
antioxidant;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
mutagen;
radical scavenger
hinokiflavonehinokiflavone : A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential.

hinokiflavone: from Rhus succedanea; structure given in first source
aromatic ether;
biflavonoid;
hydroxyflavone
antineoplastic agent;
metabolite;
neuroprotective agent
euxanthoneeuxanthone : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense.phenols;
xanthones
metabolite;
plant metabolite
hyperosidequercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity.beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
mangostinalpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.

mangostin: xanthone from rind of Garcinia mangostana Linn. fruit
aromatic ether;
phenols;
xanthones
antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
3-methylquercetinisorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group.7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone
anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
norlichexanthonenorlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.

norlichexanthone: isolated from fungus P16; structure in first source
polyphenol;
xanthones
antimalarial;
fungal metabolite
morinmorin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.

morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria)
7-hydroxyflavonol;
pentahydroxyflavone
angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
morusinmorusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.

morusin: from Morus root bark; structure given in first source
extended flavonoid;
trihydroxyflavone
antineoplastic agent;
plant metabolite
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
sciadopitysinsciadopitysin : A biflavonoid that is a 7, 4', 4'''-trimethyl ether derivative of amentoflavone.

sciadopitysin: biflavonoid from Taxus celebica & Ginkgo biloba
biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly
bone density conservation agent;
platelet aggregation inhibitor
scutellareinscutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.

scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein
tetrahydroxyflavonemetabolite
wogoninwogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.

wogonin: structure in first source
dihydroxyflavone;
monomethoxyflavone
angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
coumestrolcoumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.

Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.
coumestans;
delta-lactone;
polyphenol
anti-inflammatory agent;
antioxidant;
plant metabolite
daidzein7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
trans-2,3',4,5'-tetrahydroxystilbenetrans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrolstilbenoid
Pinosylvin methyl etherstilbenoid
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
forsythiasideforsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao)hydroxycinnamic acid
iriloneirilone : A hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'.

irilone: structure in first source
hydroxyisoflavone;
organic heterotricyclic compound;
oxacycle
antineoplastic agent;
immunomodulator;
metabolite
3,4-di-o-caffeoylquinic acid3,4-di-O-caffeoylquinic acid: isolated from Siphonostegia chinensisquinic acid
caffeic acid phenethyl esterphenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rosmarinic acid(R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.

rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.

rosmarinic acid: RN given refers to parent cpd; promote OT project
rosmarinic acidgeroprotector;
plant metabolite
salvianolic acid asalvianolic acid A: a nootropic depside from Salvia miltiorrhiziastilbenoid
shogaolshogaol: from ginger, ZINGIBER OFFICINALE; less mutagenic than GINGEROL; structure given in first sourceenone;
monomethoxybenzene;
phenols
acteosideacteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid.

acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae)
catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol
anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
puerarinC-glycosyl compound;
hydroxyisoflavone
plant metabolite
tectorigenintectorigenin : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively.

tectorigenin: tectoridin is glycosylated form
7-hydroxyisoflavones;
methoxyisoflavone
anti-inflammatory agent;
plant metabolite
wedelolactonewedelolactone : A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3.

wedelolactone: antihepatotoxic coumestan from Eclipta prostrata and Wedelia calendulacea (both Asteraceae); structure given in first source
aromatic ether;
coumestans;
delta-lactone;
polyphenol
antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
Licarin Abenzofurans
rottlerinrottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.

rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone
anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic acidcatechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol
antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
hydramethylnonhydramethylnon : A member of the class of hydrazones that is used as an insecticide for control of ants and cockroaches.

hydramethylnon: used as fire ant insecticide in southern USA; poorly absorbed by mammals & more than 95% is excreted unchanged in the feces
hydramethylnon
flupenthixolcis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration.flupenthixoldopaminergic antagonist
tectochrysintectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively.

tectochrysin: structure in first source
monohydroxyflavone;
monomethoxyflavone
antidiarrhoeal drug;
antineoplastic agent;
plant metabolite
l 683590immunomycin: from Streptomyces hygroscopicus; structure given in first sourceether;
lactol;
macrolide;
secondary alcohol
antifungal agent;
bacterial metabolite;
immunosuppressive agent
astragalinkaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage.

kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source
beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone
plant metabolite;
trypanocidal drug
n-oleoyldopamineN-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist.

N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain
catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide
TRPV1 agonist
cilnidipine2-methoxyethyl ester;
C-nitro compound;
dihydropyridine
antihypertensive agent;
calcium channel blocker;
cardiovascular drug
gamma-oryzanolcycloartenyl ferulate: antinociceptive agent from rice bran; structure in first sourcetriterpenoid
uf 021isopropyl unoprostone : The isopropyl ester of unoprostone.

isopropyl unoprostone: a safe and effective ocular hypotensive drug
isopropyl ester;
ketone;
prostaglandins Falpha
antiglaucoma drug;
antihypertensive agent;
prodrug
pelubiprofenpelubiprofen: RN & structure given in first source; RN not in Chemline 3/84
tranilasttranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group.

tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide
anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
l 735821L 735821: inhibits KCNQ2 channelsN-acyl-amino acid
4'-hydroxychalcone4'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'.

4'-hydroxychalcone: inhibits TNFalpha-induced NF-ÎşB activation; structure in first source
chalcones;
phenols
anti-inflammatory agent;
antineoplastic agent
menatetrenonemenaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration.menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
misoprostolmisoprostol : A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.

Misoprostol: A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties.
2,4-decadienal(2E,4E)-deca-2,4-dienal : A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes.polyunsaturated fatty aldehydeapoptosis inducer;
nematicide
astrogorgiadiolastrogorgiadiol: structure in first sourcesesquiterpenoid
3-ketolithocholic acid3-ketolithocholic acid: structure in first sourceoxo-5beta-cholanic acid
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
cyclosporineramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MFhomodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
di-allatedi-allate: RN given refers to cpd without isomeric designation; structuretertiary amine
indolidanindolidan: structure given in first source
perhexiline maleate
beta-nitrostyrenebeta-nitrostyrene: RN given refers to cpd without isomeric designation
tetrachlorvinphosTetrachlorvinphos: An organophosphate cholinesterase inhibitor that is used as an insecticide. It has low mammalian toxicity. (From Merck Index, 11th ed)alkenyl phosphate;
dialkyl phosphate;
organochlorine insecticide;
organophosphate insecticide;
trichlorobenzene
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
toxaphene
zinc dibutyldithiocarbamatezinc dibutyldithiocarbamate : A dithiocarbamate salt that is the zinc salt of dibutyldithiocarbamic acid.

zinc dibutyldithiocarbamate: vulcanization accelator
dithiocarbamate salt;
zinc molecular entity
antifungal agrochemical
dorzolamidedorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.

dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer
sulfonamide;
thiophenes
antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
ethisteroneethisterone : A 17beta-hydroxy steroid that is testosterone in which the 17beta hydrogen is replaced by an ethynyl group. Ethisterone was the first orally active progestin and is a metabolite of danazol.

Ethisterone: 17 alpha-Hydroxypregn-4-en-20-yn-3-one. A synthetic steroid hormone with progestational effects.
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
drug metabolite;
progestin
nalorphineNalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.morphinane alkaloid
oxycodoneoxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.

Oxycodone: A semisynthetic derivative of CODEINE.
organic heteropentacyclic compound;
semisynthetic derivative
antitussive;
mu-opioid receptor agonist;
opioid analgesic
vitamin k 1phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.

Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.
phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
proscillaridinProscillaridin: A cardiotonic glycoside isolated from Scilla maritima var. alba (Squill).organic molecular entity
sirolimussirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.

Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.
antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol
antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
topiramatetopiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.

Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.
cyclic ketal;
ketohexose derivative;
sulfamate ester
anticonvulsant;
sodium channel blocker
6,7,4'-trihydroxyisoflavone4',6,7-trihydroxyisoflavone : A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6.

6,7,4'-trihydroxyisoflavone: structure in first source
7-hydroxyisoflavonesanti-inflammatory agent;
antimutagen;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite;
PPARalpha agonist;
PPARgamma agonist
irosustatirosustat: Antineoplastic Agents, Hormonal; a tricyclic sulfamate ester; structure in first source
lg 100567ALRT 1550: ALRT1550 is (2E,4E,6E)-isomer; LG100567 is (2E,4E,6Z)-isomer; structure given in first source
ophiocordinazepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin)
as 604850
alvocidibalvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.

alvocidib: structure given in first source
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
fenretinide4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.

Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.
monocarboxylic acid amide;
retinoid
antineoplastic agent;
antioxidant
geldanamycin1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound
antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
gw 56383-(4-(1,2-diphenylbut-1-enyl)phenyl)acrylic acid: exhibits estrogen agonist activity in bone and estrogen antagonist activity in uterus; structure in first source
ic 261IC 261: a caseine kinase-1 inhibitor; structure in first source
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin17-(dimethylaminoethylamino)-17-demethoxygeldanamycin: structure in first source

alvespimycin : A 19-membered macrocyle that is geldanamycin in which the methoxy group attached to the benzoquinone moiety has been replaced by a 2-(N,N-dimethylamino)ethylamino group.
1,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound
Hsp90 inhibitor
morphineMeconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
as 605240(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione : A quinoxaline derivative that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis.

5-quinoxalin-6-ylmethylenethiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source
quinoxaline derivative;
thiazolidinediones
anti-inflammatory agent;
antirheumatic drug;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
aftin-4aftin-4: increases production of amyloid-beta protein (1-42)
su 5402SU 5402: structure given in first source

SU5402 : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.
su 9516
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source

arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR).
benzoic acids;
naphthalenes;
retinoid
antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl esterpyrazoles;
ring assembly
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylsulfinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide1,3-oxazoles
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamidearomatic amide;
heteroarene
3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one4'-methoxyisoflavones
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinaminebenzodioxoles
2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamidearomatic amide;
thiophenes
2-methylthio-atp2-methylthio-ATP: purinergic receptors agonist; relaxes mammalian gut preparations; structure given in first source
adp beta sadenosine 5'-O-(2-thiodiphosphate): partial agonist toward platelet aggregation; see also record for 1-thiodiphosphate cpd
atosibanoligopeptide
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamidebenzamides
deamino arginine vasopressinDeamino Arginine Vasopressin: A synthetic analog of the pituitary hormone, ARGININE VASOPRESSIN. Its action is mediated by the VASOPRESSIN receptor V2. It has prolonged antidiuretic activity, but little pressor effects. It also modulates levels of circulating FACTOR VIII and VON WILLEBRAND FACTOR.heterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
desonidedesonide : Triamcinolone acetonide with hydrogen instead of the fluorine substituent at position 9. A corticosteroid anti-inflammatory, it is used topically as a cream, ointment or lotion for the treatment of various skin disorders.

Desonide: A nonfluorinated corticosteroid anti-inflammatory agent used topically for DERMATOSES.
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
cyclic ketal;
primary alpha-hydroxy ketone
anti-inflammatory drug
esomeprazole magnesiumbenzimidazoles;
sulfoxide
sb 277011SB 277011: structure in first source
pd 180970PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source
benzyloxycarbonyl-phe-ala-fluormethylketonecathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
k 185
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
l 365260L 365260: a CCK-B antagonist; structure given in first source; potent & selective CCK-B & gastrin receptor ligand; L 365260 and L 365346 are (R)- and (S)-stereoisomers, respectivelybenzodiazepine
l 372662L 372662: structure in first source
lacidipinecinnamate ester;
tert-butyl ester
dl-threo-beta-benzyloxyaspartate
mdl 100907Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.
cytochalasin bcytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.

Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound
actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
neurokinin aNeurokinin A: A mammalian neuropeptide of 10 amino acids that belongs to the tachykinin family. It is similar in structure and action to SUBSTANCE P and NEUROKININ B with the ability to excite neurons, dilate blood vessels, and contract smooth muscles, such as those in the BRONCHI.
cgp 77675CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source
pd 166285
sib 1893SIB 1893: a selective mGluR5 antagonist; structure in first source
vitamin b 12
way-151932WAY-151932: structure in first source
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanoneWIN 55212-2 : A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group.morpholines;
naphthyl ketone;
organic heterotricyclic compound;
synthetic cannabinoid
analgesic;
apoptosis inhibitor;
neuroprotective agent
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamidepyrimidines
kn 93KN 93: reduces dopamine content in PC12h cells

KN-93 : A sulfonamide resulting from the formal condensation of p-methoxybenzenesulfonic acid with the anilino nitrogen of 2-(aminomethyl)-N-(2-hydroxyethyl)aniline in which the hydrogens of the primary amino group have been replaced by methyl and p-chlorocinnamyl groups. KN-93 is a selective inhibitor of Ca(2+)/calmodulin-dependent protein kinase II.
monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound
EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector
silodosinsilodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first sourceindolecarboxamide
kn 62KN 62: inhibitor of Ca/calmodulin-dependent protein kinase IIpiperazines
su 6656SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source

SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.
bilobetinbilobetin: a phospholipase A2 antagonistflavonoid oligomer
bornyl ferulatebornyl ferulate: structure in first sourcehydroxycinnamic acid
rosmarinic acidrosemarinic acid: a dimer of caffeic acid isolated from rosemary

rosmarinate : The conjugate base of rosmarinic acid; major species at pH 7.3.
carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
crenulatin coumarin
7-demethylsuberosin7-demethylsuberosin : A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata.

7-demethylsuberosin: fucocoumarin derivative of Angelicae dahuricae
hydroxycoumarinplant metabolite
linarinlinarin: flavone glycoside isolated from leaves of Linaria japonica MIQ
isocryptomerinisocryptomerin: an antifungal agent isolated from Selaginella tamariscina; structure in first source
isoginkgetinisoginkgetin : A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9).

isoginkgetin: Isolated from Ginkgo biloba; structure in first source
aromatic ether;
biflavonoid
antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
licochalcone alicochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomerchalcones
methyl-p-coumarate4-coumaric acid methyl ester : A cinnamate ester that is the methyl ester of 4-coumaric acid.

methyl-p-coumarate: structure in first source
4-coumaric acid methyl ester
cudraflavone ccudraflavone C : A tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2' and 4' and prenyl groups at positions 3 and 6. Isolated from Morus nigra, it exhibits antibacterial and cytotoxic activities.

cudraflavone C: a tyrosinase inhibitor with antimicrobial activity; isolated from Artocarpus integer; structure in first source
tetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite
muromonab-cd3cudraflavone B : An extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity.

cudraflavone B: antiproliferative from Cudrania tricuspidata
extended flavonoid;
pyranochromane;
trihydroxyflavone
anti-inflammatory agent;
plant metabolite
5,7-dihydroxy-4',6-dimethoxyflavone5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C.

pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein.
dihydroxyflavone;
dimethoxyflavone
plant metabolite
podocarpusflavone apodocarpusflavone A: isolated from Podocarpus imbricatusflavonoid oligomer
tilirosidetiliroside: isolated from seeds of Eremocarpus setigeruscinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
plant metabolite
atractylenolide iatractylenolide I: from Atractylodes macrocephala Koidz; structure in first source
tilianintilianin: from several medicinal plants including Agastache rugosa and Dracocephalum moldavia
3',4',7-trihydroxyflavone3',4',7-trihydroxyflavone: from the Sudanese medicinal plant Albizia zygia; structure in first sourceflavones
1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta(c)quinolin-8-yl)ethanone1-(4-(6-bromobenzo(1,3)dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)ethanone: G-1 was able to induce both c-fos expression and proliferation in the ERalpha-negative/GPR30-positive SKBR3 breast cancer cells, the requirement for ERalpha expression in GPR30/EGFR signaling may depend on the specific cellular context of different tumor typesagonist
fluvoxaminefluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder.

Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS.
(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime
antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
granulatimidegranulatimide: minor alkaloids of the Brazilian ascidian Didemnum; structure in first source
arcyriaflavin aarcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first sourceindolocarbazole
pd 089828PD 089828: structure in first source
pd 166866PD 166866: structure in first source

PD-166866 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM.
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pd 161570PD 161570: structure in first source
erbstatinerbstatin: from actinomycetes; an inhibitor of EGF-receptor kinase & other protein-tyrosine kinases; structure in first source
pd-173952
AG-370indoles
ag 538AG 538: an IGF-1 receptor kinase inhibitor; structure in first source
ag 99tyrphostin A46: epidermal growth factor-urogastrone receptor antagonist
tyrphostin ag 555
tyrphostin ag-494AG 494: tyrphostin that blocks Cdk2 activation; structure in first source
tyrphostin b44tyrphostin B44: inhibits protein kinases; an analog of tyrphostin B46; B44(+) is B50, and is the stereoisomer of B44(-)
ag 556AG 556: structure given in first source
ag-490catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide
anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor
ag 127AG 127: structure given in first source
alpha-cyano-4-hydroxycinnamic acidalpha-cyano-4-hydroxycinnamic acid : A monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides.monohydroxycinnamic acid;
nitrile;
phenols
MALDI matrix material
ag 30AG 30: structure given in first source; do not confuse with AG-30 antimicrobial peptide
ag 112
ag 183AG 183: structure given in first source
bosutinib4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first sourceaminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
semaxinibsemaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.olefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantiniborantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.

orantinib: an antiangiogenic agent
su 11248monocarboxylic acid amide;
pyrroles
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
su 11652SU 11652: a tyrosine kinase inhibitor; amino acid sequence in first source

SU11652 : A member of the class of pyrrolecarboxamides obtained by formal condensation of the carboxy group of 5-[(Z)-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic acid with the primary amino group of N(1),N(1)-diethylethane-1,2-diamine.
olefinic compound;
organochlorine compound;
oxindoles;
pyrrolecarboxamide;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor
palladia
su9518SU9518: potently and selectively inhibits the cellular PDGF receptor kinase and PDGF receptor-induced cell proliferation
m475271AZM475271: a Src family kinase inhibitor
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
d-64406D-64406: structure in first sourceindolyl carboxylic acid
jnj-7706621sulfonamide
nifuroxazidenifuroxazide: structurebenzoic acids
7-hydroxycoumarin-4-acetic acid7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source
fosbretabulinstilbenoid
4-[4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranosideglycoside;
lignan
romidepsindepsipeptide : A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating.cyclodepsipeptide;
heterocyclic antibiotic;
organic disulfide
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
guttiferone eguttiferone E: isolated from the fruits of Garcinia pyrifera collected in Malaysia; structure in first source
guttiferone aguttiferone A: antibacterial from Clusiaceae family; structure in first source
sulindac sulfidesulindac sulfide : An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity.

sulindac sulfide: sulfated analog of indomethacin & inhibitor of prostaglandin synthesis in vitro; RN given refers to cpd without isomeric designation; structure given in first source
aryl sulfide;
monocarboxylic acid;
organofluorine compound
antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
bay 11-7082(E)-3-tosylacrylonitrile : A nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells.nitrile;
sulfone
apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
bay 11-7085BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB.benzenes;
nitrile;
sulfone
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor
oxiconazoleoxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections.

oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether
antiinfective agent
2,4,3',5'-tetramethoxystilbene2,4,3',5'-tetramethoxystilbene: potent inhibitor of human cytochrome P450 1B1; an antihypertensive agent; structure in first source
methyl-3-methoxy-4-hydroxystyryl ketonemethyl-3-methoxy-4-hydroxystyryl ketone: structure given in first source; RN given refers to cpd without isomeric designationhydroxycinnamic acid
cinnamoylhydroxamic acidcinnamoylhydroxamic acid: RN given refers to parent cpd
Isoliquiritigenin 4,4'-dimethyl etherchalcones
bromebric acidbromebric acid: major descriptor (74-86); on line search ACRYLATES (74-86); INDEX MEDICUS search BROMEBRIC ACID (74-86); RN given refers to parent cpdcarbonyl compound
naltrexonenaltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.

Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
zimeldineZimeldine: One of the SEROTONIN UPTAKE INHIBITORS formerly used for depression but was withdrawn worldwide in September 1983 because of the risk of GUILLAIN-BARRE SYNDROME associated with its use. (From Martindale, The Extra Pharmacopoeia, 29th ed, p385)styrenes
alloocimene(4E,6E)-2,6-dimethylocta-2,4,6-triene : An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer).

alloocimene: representative of carotenoid polyenes; RN given refers to cpd without isomeric designation
ocimenesemiochemical
2-Phenylethyl 3-phenyl-2-propenoatecinnamate ester
grifolingrifolin: antibiotic isolated from Grifola confluenssesquiterpenoid
1-hydroxyxanthone1-hydroxyxanthone: structure in first source
2-(4-(dimethylamino)styryl)benzothiazole2-(4-(dimethylamino)styryl)benzothiazole: structure in first source
urolithin burolithin B: has antiproliferative activity; structure in first sourcecoumarins
4,3',5'-tri-o-methylpiceatannol
3,4',5-trimethoxystilbene3,4',5-trimethoxystilbene: structure in first source
clathrodinclathrodin: structure given in first source; isolated from marine sponges of the genus Agelas
bedaquilinebedaquiline : A quinoline-based antimycobacterial drug used (as its fumarate salt) for the treatment of pulmonary multi-drug resistant tuberculosis by inhibition of ATP synthase, an enzyme essential for the replication of the mycobacteria.

bedaquiline: a diarylquinoline Antitubercular Agent
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound
antitubercular agent;
ATP synthase inhibitor
vinblastine sulfate
3-cyano-7-hydroxycoumarin3-cyano-7-hydroxycoumarin: structure given in first source
serratinserratin: isolated from the essential oil of Clerodendron serratum; structure in first sourceneoflavonoid
parthenolide
aztreonam
cisplatindiamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent
indinavir sulfateazaheterocycle sulfate salt
huperzine bhuperzine B: Chinese drug isolated from Huperzia serrata; structure given in first source; also isolated from Phlegmariurus fordiiphenanthrol
quinaldine bluequinaldine blue: RN given refers to chloride; structurecyanine dye;
organic iodide salt
fluorochrome
4',7,8-trihydroxyisoflavone4',7,8-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first sourceisoflavones
pepstatinpepstatin: inhibits the aspartic protease endothiapepsinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
pd 144795
Norartocarpetinflavones
urolithin durolithin D: has antiproliferative activity; structure in first sourcehydroxycoumarin
sequoiaflavonesequoiaflavone: Isolated from Ginkgo biloba; structure in first source
3-methoxymorphinan
morphine-3-glucuronidemorphine-3-glucuronide: RN given refers to (5alpha,6alpha)-isomermorphinane alkaloid
1,3-dihydro-7,8-dimethyl-2h-imidazo(4,5-b)quinolin-2-one1,3-dihydro-7,8-dimethyl-2H-imidazo(4,5-b)quinolin-2-one: structure given in first source
alvimopan anhydrousalvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for painpeptide
3,3'-di-o-methylellagic acid3,3'-di-O-methylellagic acid: structure given in first source
w-13
adenosine 5'-diphosphate 2',3'-dialdehyde
ochnaflavoneochnaflavone : A biflavonoid with an ether linkage between the B-rings of the apigenin and luteolin subunits. It has been isolated from several members of the Ochnaceae plant family.

ochnaflavone: from Lonicera japonica; structure given in first source
aromatic ether;
biflavonoid;
hydroxyflavone
anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite
olomoucine iiolomoucine II: structure in first source
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively.

2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor
organic heterotetracyclic compound;
organofluorine compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
6-mercapto-7-methylguanosine6-mercapto-7-methylguanosine: structure given in first source
vx680N-arylpiperazine
bms 806BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002
9-Hydroxycalabaxanthonexanthones
guanabenz acetatedichlorobenzenegeroprotector
guanabenzGuanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent.dichlorobenzene
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
fenoterolfenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction.hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
fendiline hydrochloride
methylbenzethonium chloridealkylbenzene
quinaldine redquinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure
3,3'-diethylthiacarbocyanine iodidebenzothiazoles;
cyanine dye
fluorochrome
mimulonemimulone: structure in first source
chloride of pseudoisocyanine1,1'-diethyl-2,2'-cyanine halide;
organic chloride salt
5233705 compound
3,4-dihydroxy-xanthone3,4-dihydroxy-xanthone: structure given in first source
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-onepyridochromene
3',4'-dihydroxyaurone3',4'-dihydroxyaurone : A hydroxyaurone that is aurone which is substituted by hydroxy groups at the 3' and 4' positions; major species at pH 7.3. It shows inhibitory activity against several isoforms of the histone deacetylase complex (HDAC).catechols;
hydroxyaurone
EC 3.5.1.98 (histone deacetylase) inhibitor
derrubonederrubone: an inhibitor of the Hsp90 protein folding machinery from Derris robusta; structure in first sourceisoflavanones
4-hydroxylonchocarpin4-hydroxylonchocarpin: structure in first source
gw-5074
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2H-pyran-2-one: structure given in first source; potent irreversible, mechanism-based inhibitor of myocardial calcium-independent phospholipase A2naphthalenes
st 638
su 4984
tyrphostin ag825tyrphostin AG 825 : An organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist.

tyrphostin AG825: a tyrphostin of the benzylidene malononitrile family; an erbB2 antagonist
aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide
epidermal growth factor receptor antagonist
nf023
nf 449
gr 46611GR 46611: known to lower body temperature in guinea pigs
nitrovinNitrovin: An antibacterial growth promoter used in animal feeds.C-nitro compound;
furans
eupomatenoid 6eupomatenoid 6: RN given for (E)-isomer; structure in first source

rataniaphenol II : A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
benzofurans;
phenols
anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite
oroidinoroidin: from marine sponges of the genus Agelas; structure in first sourcepyrroles;
secondary carboxamide
metabolite
22,23-dihydroavermectin b(1)a22,23-dihydroavermectin B(1)a: C48H74O14; major component of IVERMECTIN; MW 875.093; structure given in first source

22,23-dihydroavermectin B1a : A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin.
macrocyclic lactone;
spiroketal
monordenmonorden: inhibits HSP90 Heat-Shock Proteins, DNA topoisomerase VI and human Topoisomerase IIcyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols
antifungal agent;
metabolite;
tyrosine kinase inhibitor
triphenyltin hydroxidefentin hydroxide : An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a hydroxy group. A fungicide used to control a variety of infections including blight on potatoes, leaf spot on sugar beet and alternaria blight on carrots.
palonosetronpalonosetron : An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.

Palonosetron: Isoquinoline and quinuclidine derivative that acts as a 5-HT3 RECEPTOR antagonist. It is used in the prevention of nausea and vomiting induced by cytotoxic chemotherapy, and for the prevention of post-operative nausea and vomiting.
azabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
agn 191659AGN 191659: a retinoid x receptor pan-agonist; structure in first source
2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source
isonitrosoacetone2-oxopropanal-1-oxime: structure given in first source
psammaplin apsammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanonearomatic ketone
diacetylmonoximediacetylmonoxime : A ketoxime obtained via formal condensation of butane-2,3-dione with hydroxylamine. It is a reversible myosin ATPase inhibitor.

diacetylmonoxime: used diagnostically for determining urea in blood; structure; myosin ATPase antagonist
d 4476imidazoles
GSK3-XIIIGSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups.aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor
(-)-catechin-3-O-gallate(-)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin.flavans;
gallate ester;
polyphenol
metabolite
Adenosine 5'-monophosphate monohydratepurine ribonucleoside monophosphate
enclomiphene citrate
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
ciproxifanaromatic ketone
lasalocid sodiumlasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry.benzoates;
organic sodium salt
coccidiostat;
ionophore
eniporideeniporide: inhibits NHE-1 isoform; structure in first source
zoniporidezoniporide: inhibits sodium-hydrogen exchanger isoform-1 (NHE-1)
mg 624triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source
avermectin b(1)aavermectin B(1)a: RN given refers to avermectin B(1)a; see also avermectins & demethylavermectinsavermectin
sclerotiorinsclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first sourceazaphilone
al 3264AL 3264: structure given in first source
diniconazole(1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol : A member of the class of triazoles that is 4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol substituted at position 1 by a 2,4-dichlorophenyl group.

diniconazole : A racemate comprising equimolar amounts of (R)- and (S)-diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts.

diniconazole: structure given in first source
dichlorobenzene;
olefinic compound;
secondary alcohol;
triazoles
manoalidemanoalide : A sesterterpenoid isolated from the marine sponge Luffariella variabilis and which has been shown to exhibit inhibitory activity towards phospholipase A2.

manoalide: phospholipase A2 inhibitor; sesterterpene from marine sponge L. variabilis; structure given in first source
butenolide;
lactol;
sesterterpenoid
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite
lumefantrinelumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.

Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION).
fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine
antimalarial
agn 191701AGN 191701: retinoid X receptors agonist; RN refers to (E)-isomer; structure given in first source
bwa 4c
4-hydroxyderricin4-hydroxyderricin: from Angelica keiskei; RN given refers to (E)-isomer; structure in first sourcechalcones
trichostatin ctrichostatin C: glycosylated trichostatin A; structure given in first source; do not confuse with TRICHOSANTHINO-amino sugar;
trichostatin
kme 4KME 4: structure given in first source
st 271
hymenidinhymenidin: serotonergic receptor antagonist from Okinawan marine sponge Hymeniacidon; structure given in first source
1,2-dihydroxy-4-(nitroethenyl)benzene1,2-dihydroxy-4-(nitroethenyl)benzene: isolated from Streptomyces lavendulae
enofelast
e 3330E 3330: structure given in first source; MW 378.47
pregna-4,17-diene-3,16-dionepregna-4,17-diene-3,16-dione: steroid from guggulu extract; RN & N1 from C1 Form index; RN given refers to cpd without isomeric designation; structure in first source; antagonist of farnesoid X receptor3-hydroxy steroidandrogen
caftaric acidhydroxycinnamic acid
agn 190121
mareinmarein: hypoglycemic from Coreopsis tinctoria; structure in first sourceflavonoids;
glycoside
lithospermic acid
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
lg100754LG 100754: retinoic acid receptors antagonist & agonist; a mixed function retinoid whose activity is dimer-selective; structure given in first source
laq824LAQ824: Histone deacetylase inhibitor
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
13-oxo-9,11-octadecadienoic acid13-oxo-9Z,11E-ODE : An oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha.13-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
su 4312SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.
abt-100ABT-100: farnesyltransferase inhibitor; structure in first source
rilpivirineaminopyrimidine;
nitrile
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
su 11248
(melle-4)cyclosporin(melle-4)cyclosporin: a non-immunosuppressive analog of cyclosporin A
2',4',6'-trihydroxychalconepinocembrin chalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2', 4' and 6' respectively.

pinocembrin chalcone: isolated from Helichrysum trilineatum; structure in first source
chalconesantifungal agent;
plant metabolite
4,5-di-O-caffeoylquinic acidquinic acid
indigo carmine3,5-di-O-(E)-caffeoylquinic acid: from roots of Lychnophora ericoides; structure in first source

3,5-di-O-caffeoyl quinic acid : A carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of (-)-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities.
hylin
daurichromenic aciddaurichromenic acid: structure in first source
methyl chlorogenatemethyl chlorogenate: from Eriobotrya japonica; structure in first sourcequinic acid
scy-635
opc-67683OPC-67683: an antitubercular agentpiperidines
tanespimycinCP 127374: analog of herbimycin A1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
clovamideclovamide: RN given for (Z)-isomer; structure in first sourcetyrosine derivative
manzamine amanzamine A : An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26).

manzamine A: RN given refers to (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)-isomer; RN for cpd without isomeric designation not avail 12/92
alkaloid;
beta-carbolines;
isoquinolines
animal metabolite;
anti-HSV-1 agent;
antimalarial;
antineoplastic agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
marine metabolite
gw 1929GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first sourcebenzophenones
cefpodoxime proxetilcefpodoxime proxetil : The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis.

cefpodoxime proxetil: structure given in first source; prodrug for cefpodoxime
carboxylic acid;
carboxylic ester;
cephalosporin
antibacterial drug;
prodrug
1-azakenpaullone1-azakenpaullone : An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively.lactam;
organic heterotetracyclic compound;
organobromine compound;
organonitrogen heterocyclic compound
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
a 419259
gdp 366GDP 366: an antineoplastic agent; structure in first source
norgestimateketoxime;
steroid ester;
terminal acetylenic compound
contraceptive drug;
progestin;
synthetic oral contraceptive
a 77636(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol : An isochromene that is 3,4-dihydroisochromene-5,6-diol bearing additional aminomethyl and 1-adamantyl substituents at positions 1 and 3 respectively (the 1R,3S-diastereomer). Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.

A 77636: structure given in first source; a selective dopamine D1 receptor agonist
adamantanes;
catechols;
isochromenes;
primary amino compound
antiparkinson drug;
dopamine agonist
b 43RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triolaporphine alkaloid
gw2974GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2pyridopyrimidine
l 750667L 750667: structure given in first sourcepiperazines
l 162313L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95
l-1650414-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid: a PPAR-delta agonist has regulatory effects on a variety of adipokines, and these effects might explain some of their metabolic function.aromatic ketone
pd 404182
sb 222200quinolines
cycloheximidepiperidones
nitrofurantoinnitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.

Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic
antibacterial drug;
antiinfective agent;
hepatotoxic agent
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(-)-isomeracetamides
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinaminequinazolines
ca 074 methyl ester
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridineimidazoles
tubacintubacin: inhibits histone deacetylase 6; structure in first source1,3-oxazoles
cgp 533534,5-bis(4-fluoroanilino)phthalimide: structure in first sourcephthalimides
atomoxetine
ispinesibbenzamides
6-hydroxybenzothiazide-2-sulfonamide6-hydroxybenzothiazide-2-sulfonamide: structure given in first source
gsk5182GSK5182: an estrogen-related receptor gamma inverse agonist
acetyl isogambogic acidacetyl isogambogic acid: structure in first source
furaginfuragin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [3-(5-nitro-2-furyl)prop-2-en-1-ylidene]amino group (the configuration of the C=C and C=N bonds in the grouping that links the two heterocycles is not specified). A nitrofuran antibiotic with properties similar to nitrofurantoin, furagin is used in the treatment of urinary tract infections.

Furagin: Nitrofuran derivative anti-infective agent used for urinary tract infections.
17-n,n-diethylcarbamoyl-4-methyl-4-azaandrostane-3-one17-N,N-diethylcarbamoyl-4-methyl-4-azaandrostane-3-one: inhibitor of testosterone 5-alpha reductase, receptor binding & nuclear uptake of androgens in the prostate
bufogeninbufogenin : A steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers.

bufogenin: respiratory stimulant; from toad; structure
epoxy steroid;
steroid lactone
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
granisetron hydrochloridearomatic amide;
indazoles
edelfosine(R)-edelfosine : A 1-octadecyl-2-methylglycero-3-phosphocholine that is the (R)-enantiomer of edelfosine.1-octadecyl-2-methylglycero-3-phosphocholine
temsirolimusmacrolide lactam
dutasteridedutasteride : An aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.

Dutasteride: A 5-ALPHA-REDUCTASE INHIBITOR that is reported to inhibit both type-1 and type2 isoforms of the enzyme and is used to treat BENIGN PROSTATIC HYPERPLASIA.
(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
vilazodonevilazodone : A 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder.1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile
antidepressant;
serotonergic agonist;
serotonin uptake inhibitor
l 371257L 371257: structure given in first source
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetroneoligopeptide
cvt 313CVT 313: a potent inhibitor of CDK2 that prevents neointimal proliferation; structure given in first source
tekturnafumarate saltantihypertensive agent
nps2143
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
altenusinaltenusin : A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria and several other fungal species.

altenusin: structure given in first source
aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol
antifungal agent;
fungal metabolite
lu 208075ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertensiondiarylmethane
ucb 35625UCB 35625: J-113863 is the (trans)-isomer; structure in first source
bibx 1382bsBIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001substituted aniline
vildagliptinamino acid amide
relacatibrelacatib: a cathepsin K inhibitor; structure in first source
belinostathydroxamic acid;
olefinic compound;
sulfonamide
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
pep0053-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source
sk-7041SK-7041: an antineoplastic agent; structure in first source
on 01910N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.

ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source

rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties.
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
corosolic acidtriterpenoidmetabolite
xct790XCT790: structure in first sourcecinnamamides
panobinostatpanobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.

Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA.
cinnamamides;
hydroxamic acid;
methylindole;
secondary amino compound
angiogenesis modulating agent;
antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
hdac-42HDAC-42: structure in first sourceamidobenzoic acid
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamidebenzamides
1-aminoadenosine1-aminoadenosine: structure
13-epi-sclareol13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source
sun
N-[(2-chlorophenyl)methyl]-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamidetriazolopyrimidines
parthenolidesesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
5-(4-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
3-methyl-n-(3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)isoxazole-5-carboxamide3-methyl-N-(3-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)isoxazole-5-carboxamide: a LIMK2 inhibitor; structure in first source
n1-(2-aminophenyl)-n7-phenylheptanediamide
bml 210N1-(2-aminophenyl)-N8-phenyloctanediamide: InChIKey: RFLHBLWLFUFFDZ-UHFFFAOYSA-Ndicarboxylic acid diamideantineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
a 770041aromatic amide
bis(7)-tacrinesecondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
9h-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-n-(1-methylethyl)-9H-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-: an epichaperome (purine-scaffold) inhibitor; structure in first source
sl 327SL 327: a MEK inhibitor

SL-327 : A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2.
tws 119pyrroles
((3z)-n-(3-chlorophenyl)-3-((3,5-dimethyl-4-((4-methylpiperazin-1-yl)carbonyl)-1h-pyrrol-2-yl)methylene)-n-methyl-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide)sulfonamide
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanonebenzamides;
N-acylpiperidine
c 1368
N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamidearomatic amide
chlorhexidinechlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.
biguanides;
monochlorobenzenes
antibacterial agent;
antiinfective agent
aldicarb sulfoxidealdicarb sulfoxide: metabolite of aldicarb
azimilideazimilide: structure given in first source; RN given refers to dihydrochlorideimidazolidine-2,4-dione
cyclophostincyclophostin: from Streptomyces lavendulae; structure given in first source
vacuolin-1vacuolin-1: inhibits Ca2-dependent lysosomal exocytosis
sodium bisulfate
dov 216303
nvp-dpp728
gw 274150
jnj 10198409
gw 7604GW 7604: structure in first source
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide
sch 351591SCH 351591: a phosphodiesterase 4 inhibitor; structure in first source

SCH-351591 : An aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4).
phenethylcymserinephenethylcymserine: structure in first source
givinostatcarbamate ester
n-demethylloperamidedesmethyl loperamide : A monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid.

N-demethylloperamide: loperamide metabolite; structure in first source
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol
drug metabolite
av 412
ym 60828YM 60828: YM-466 is the mesylate salt
reblastatinreblastatin: structure in first source
l-791943L-791943: an phosphodiesterase iv inhibitor; structure in first source
rs 14203RS 14203: a type IV cyclic nucleotide phosphodiesterase inhibitor; structure in first source
telatinib
edotecarin
y-39983Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first sourcepyrrolopyridine
bimosiamosebimosiamose: a selectin inhibitor
ave 0118
cp 5476323-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source
timcodartimcodar: a mutlidrug resistance inhibitor; structure in first source
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
5'-amino-5'-deoxyadenosine
pd 144418
benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-
cycloproparadicicolcycloproparadicicol: structure in first source
(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine(2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine: structure given in first source
ca 074
ganstigmineganstigmine: structure in first source
lenvatiniblenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
sergliflozin etabonatesergliflozin: a hypoglycemic agent that inhibits SGLT2 sodium-glucose transporter; structure in first sourceglycoside
17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan
gw843682x(trifluoromethyl)benzenes
gw 803430
pd 0325901mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor

PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound
antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
a 1899A 1899: a TASK-1 potassium channel blocker; structure in first source
gsk 256066
k11002
men 11558
midostaurinmidostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
dectomax
2-(4'-methylaminophenyl)benzothiazole2-(4'-methylaminophenyl)benzothiazole: binds amyloid-beta fibrils; structure in first source
azd9272AZD9272: an mGluR5 antagonist
4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamidearyl sulfide
rs 25344RS 25344: inhibits phosphodiesterase PDE-4D3; structure given in first source
ci 1044CI 1044: inhibits PDE4; structure in first source
ap 2238
lg 1506
11-keto-boswellic acid
a-705253A-705253: structure in first source
proflavine hemisulfate
px-866PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine.

PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
ki23057Ki23057: K-samII/FGF-R2 phosphorylation inhibitor for treatment of scirrhous gastric cancer; structure in first source
cyclic(arg-gly-asp-d-phe-val)
apigenin-7-o-rutinoside
gambogic acidgambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomerpyranoxanthonesmetabolite
ym 26734YM 26734: inhibits group II phospholipase A2; structure given in first source
l-454,560L-454,560: Phosphodiesterase Inhibitor; structure in first source
mk-0429
gentamicin sulfate
nu 70262-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first sourceorganic heterotricyclic compound;
organooxygen compound
cyazofamidcyazofamid : A member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.

cyazofamid: a fungicide; structure in first source
imidazole fungicide;
imidazoles;
nitrile;
organochlorine compound;
sulfamides;
sulfonamide fungicide
antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
morachalcone amorachalcone A: tyrosinase inhibitor from the wood of Artocarpus heterophyllus; structure in first sourcechalcones
cgs 35066CGS 35066: an endothelin-converting enzyme-1 inhibitor; structure in first source
nrx 194204IRX4204: retinoid X receptor (RXR) agonist; structure in first source
agn 194204AGN 194204: a retinoid X receptor ligand; structure in first source
sb 242235SB 242235: p38 MAP kinase antagonist
ripasudilisoquinolines
cgp 53716CGP 53716: structure given in first source
mocetinostatmocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).

mocetinostat: undergoing phase II clinical trials for treatment of cancer
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
cp 105696CP 105696: a leukotriene B4 receptor antagonist; structure in first source
17-hydroxywortmannin17-hydroxywortmannin: inhibits secretion of human neutrophils
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
sabiporidesabiporide: a NHE-1 inhibitor and a cardioprotective agent; structure in first source
k201 compoundK201 compound: structure given in first source
ki 20227
scio-469SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004

talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties.
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
remogliflozin etabonateremogliflozin etabonate: orally administered hypoglycemic agent; structure in first sourceglycoside
l 368899
em 800EM 800: EM-800 is the prodrug of EM-652; EM-800 and EM-776 are (S)- and (R)-isomers, respectively; structure in first source
t 1032T 1032: a cyclic GMP phosphodiesterase-5 inhibitor; structure in first source
cp 7247142-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acidhydroxybenzoic acid
bms453BMS 189453: structure in first source

BMS-453 : A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma.
benzoic acids;
dihydronaphthalenes;
stilbenoid
retinoic acid receptor alpha antagonist;
retinoic acid receptor beta agonist;
retinoic acid receptor gamma antagonist;
teratogenic agent
men 11420
pi103PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first sorucearomatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
3,5-bis(2-fluorobenzylidene)piperidin-4-one3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source
cdp 840CDP 840: RN refers to (R)-isomer; structure given in first source
a 134974A 134974: structure in first source
l 365260
dapagliflozinaromatic ether;
C-glycosyl compound;
monochlorobenzenes
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
hmr 1556HMR 1556: an I(Ks) channel blocker; structure in first source
10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenoneDMP 543: neurotransmitter release enhancer; structure given in first sourceanthracenes
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
hx 630HX 630: a retinoid X receptor ligand that functions as both an RAR synergist and peroxisome proliferator-activated receptor gamma synergist; structure in first source
ct52923CT52923: structure in first source
ipi 49317-aminogeldanamycin: structure in first source
ssr 149415
PI3-Kinase alpha Inhibitor 2organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
y 27632, dihydrochloride, (4(r)-trans)-isomer
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide: an IKK-2 kinase inhibitor; structure in first sourcearomatic amide;
thiophenes
tgx 221TGX 221: a platelet aggregation inhibitorpyridopyrimidine
cymserinecymserine: butyrylcholinesterase inhibitor; structure in first source
ic 87114IC 87114: structure in first source6-aminopurines;
biaryl;
quinazolines
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
bms 204493BMS-493 : A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenylethynyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer).acetylenic compound;
benzoic acids;
dihydronaphthalenes;
stilbenoid
retinoic acid receptor antagonist
sr 271425SR 271425: structure in first source
mcc-950
hmr 1275alvocidib hydrochloride : A hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.hydrochlorideantineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-(2-(mopholin-4-yl)ethyl)-1h-indoleN-acylindole
tivozanibN-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first sourcearomatic ether
indoxamindoxam: structure in first source
l 006235
tr 14035N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source
l-873724L-873724: a selective inhibitor of cathepsin K; structure in first source
zm 447439ZM447439 : A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively.aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
lissamine rhodamine blissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion.organic sodium saltfluorescent probe;
fluorochrome;
histological dye
l-826,141L-826,141: structure in first source
memoquinmemoquin: structure in first source
tofacitinibtofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
tolserinetolserine: structure in first source
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamideN-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide: a vanilloid receptor 1 antagonist and analgesic; structure in first sourcepiperazines;
pyridines
rucaparibAG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first sourceazepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound
antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cediranibaromatic ether
l 706000L 706000: a spirobenzopyran piperidine; structure given in first source
tae226TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first sourcemorpholines
ap23464AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases
sb 743921
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
pf9601n
pitolisantpitolisant: functions as both inverse agonist and antagonist of histamine H3 receptors; structure in first sourceorganochlorine compound
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
ps1145PS1145: IkappaB kinase inhibitor; structure in first sourcebeta-carbolines
(2S,3S)-nemonapride(2S,3S)-nemonapride : An optically active form of nemonapride having (2S,3S)-configuration.N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
rs 504393RS 504393: structure in first source1,3-oxazoles
aq4nAQ4N: structure given in first source
chir 99021CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.

Chir 99021: structure in first source
aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor
ym 2016366-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide: an antiviral agent; structure in first sourcearomatic amide
NNC 55-0396 (free base)benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
bio 1211BIO 1211: integrin alpha4beta1 inhibitor; structure in first source
bryostatin 10bryostatin 10: isolated from Bugula neritina; structure in first source
sb 5253346-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitorquinoxaline derivative
sr 11302SR 11302: structure given in first source

SR11302 : A retinoid that is all-trans-retinoic acid in which the methyl group at position 9 is replaced by a 4-methylphenyl group. It is an inhibitor of activator protein-1 which exhibits antitumour effects in vivo.
alpha,beta-unsaturated monocarboxylic acid;
retinoid;
toluenes
antineoplastic agent;
AP-1 antagonist
hippuristanolhippuristanol: from the gorgonian Isis hippuris
chf 50741-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid: a beta-amyloid(1-42) lowering agent; structure in first source
incb3344INCB3344: potent and selective small molecule CCR2 chemokine receptor antagonist
leucettamine bleucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source
3'-hydroxypterostilbene3'-hydroxypterostilbene: an apoptosis-inducing agent; structure in first source
endophenazine aendophenazine A: a phenazine antibiotic from the arthropod; structure in first source
cp 945598
caproctaminecaproctamine: an M1 and M3 receptor antagonist; also inhibits acetylcholinesterase; structure in first source
bolinaquinonebolinaquinone: a marine sesquiterpenoid from sponge Dysidea sp. with anti-inflammatory activity; structure in first source
8-(methylthio)cyclic 3',5'-adenosine monophosphate8-(methylthio)cyclic 3',5'-adenosine monophosphate: structure
pimavanserinpimavanserin : A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease.

pimavanserin: A 5-HT(2A) inverse agonist; ACP-103 is the dihydroxybutanedioate (2:1) salt. It is used to treat hallucinations and delusions associated with PARKINSON DISEASE; structure in first source.
aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas
5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
methyl 3,5-di-o-caffeoyl quinate3,5-dicaffeoylquinic acid methyl ester: results suggest that the effect of 3,5-dicaffeoylquinic esters on CHS is associated with a decrease in the production of interleukins, but not with the inhibition of iNOS expression. Moreover, esterification of the carboxyl group at C-1 enhanced protection against tyrosine nitration in the skin

methyl 3,5-di-O-caffeoyl quinate : A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.
propyl caffeatepropyl caffeate: has antioxidant activity; structure in first source
cd 666
ly-2157299LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma.

LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor
aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines
antineoplastic agent;
TGFbeta receptor antagonist
linagliptinlinagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.

Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS.
aminopiperidine;
quinazolines
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
oblongifolin coblongifolin C: has antineoplastic activity; isolated from Garcinia yunnanensis; structure in first source
2,4,2',4'-Tetrahydroxychalconechalcones
huprine yhuprine Y: structure in first source
jaspaquinoljaspaquinol: structure in first source
pazopanibpazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.

pazopanib: a protein kinase inhibitor
aminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
azd 6244AZD 6244: a MEK inhibitorbenzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
levodopa methyl ester hydrochloride
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylanilineimidazoles
su 148135-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source
odanacatibodanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source
2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole
n-caffeoyldopamineN-caffeoyldopamine: structure in first source
a 443654A 443654: an Akt kinase inhibitor; structure in first sourceindoles
apilimod
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
hupc protein, bacteriahupC protein, Bacteria: from structural operon of Rhizobium leguminosarum bv. viciae; MW 27.9 kDa; has hydrogenase activity; amino acid sequence given in first source
balicatibbalicatib: cathepsin K inhibitor
nu 61404-(6-cyclohexylmethoxy-9H-purin-2-ylamino)-N,N-diethylbenzamide: a cyclin-dependent kinase inhibitor; structure in first source
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamideaminobenzoic acid
s-benzyl phenylmethanethiosulfinateS-benzyl phenylmethanethiosulfinate: an antioxidant; structure in first source
licoflavone clicoflavone C: Antimutagenic Agent; a naturally occurring prenyl-flavone extracted from Genista ephedroides; structure in first source
arisugacinarisugacin A : An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase.

arisugacin: isolated from Penicillium sp. FO-4259; structure given in first source
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol
antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite
teferinteferin: isolated from Ferula hermonis; structure in first source
betrixabanbetrixaban : A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.

betrixaban: a highly potent, selective, and orally efficacious factor Xa inhibitor; structure in first source
benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
pik 75PIK 75: structure in first source
binimetinibbinimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sotrastaurinsotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.

sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source
indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines
anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent
aee 788AEE 788: structure in first source6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
r 306465
agn 190205AGN 190205: inhibits vascular smooth muscle cell proliferation; structure in first source
gsk 369796N-tert-butylisoquine: an antimalarial; structure in first source
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamideboceprevir : A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.tripeptide;
ureas
antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
2-acetylfuranonaphthoquinone2-acetylfuranonaphthoquinone: has antineoplastic activity; structure in first source
11-hydroxy-n-(n-propyl)noraporphine hydrochloride, (r)-isomer
di-2-pyridylketone-4,4-dimethyl-3-thiosemicarbazone
xanthohumol cxanthohumol C: has antineoplastic activity; isolated from the hops of Humulus lupulus; structure in first sourcechalcones
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
aristolactam aiiiaAristolactam AIIIa: polo-like kinase 1 (Plk1) inhibitor; structure in first source
crenolanibaminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
cacospongionolide bcacospongionolide B: isolated from the sponge Fasciospongia cavernosa; structure in first source
6-chlorotacrine6-chlorotacrine: structure given in first source
methylhistaprodifen
n-cyclopropyl adenosine-5'-carboxamide
le 135LE 135: structure given in first sourcedibenzodiazepine
meridianin ameridianin A: structure in first source
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
uncarine cuncarine C: stereoisomeric pentacyclic oxindole alkaloid from Uncaria tomentosa; structure in first sourceindolizines
msdc-0160MSDC-0160: an mTOT (mitochondrial target of thiazolidinediones) modulator for insulin sensitization; structure in first sourcearomatic ether
cj 033466CJ 033466: structure in first source
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
bms 599626
(5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diolbenzazepine
ipragliflozinglycoside
trans-delta-tocotrienoloic acidtocotrienoloic acid: from leaves of Tovomitopsis psychotriifolia; structure given in first sourcetocotrienol
exel-7647tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties.
volasertibBI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source
pha 665752dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide
antineoplastic agent;
c-Met tyrosine kinase inhibitor
4-Methoxylonchocarpinchalcones
PB28PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
l 783277
bryostatin 16bryostatin 16: from Bugula neritina; structure given in first source
ly 338522LY 338522: des-methyl metabolite of LY333531; structure in first source
s 3304S 3304: structure in first source
xanthostigminexanthostigmine: structure in first source
1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine: a 5-HT2A receptor antagonist; structure in first source
myxochelin bmyxochelin B : A member of the class of benzamides obtained by formal condensation of the 1- and 6-amino groups of hexane-1,2,6-triamine with the carboxy groups from two molecules of 2,3-dihydroxybenzoic acid followed by reduction of the amide carbonyl at position 5 to a hydroxy group.

myxochelin B: isolated from Stigmatella aurantiaca; structure in first source
benzamides;
catechols
bacterial metabolite;
siderophore
5,15-diphenylporphine5,15-diphenylporphine: structure in first source
PDGF receptor tyrosine kinase inhibitor IIIPDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT.aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
baci-imhomodetic cyclic peptide;
polypeptide;
zwitterion
antibacterial agent;
antimicrobial agent
ucn 1028 ccalphostin C: structure given in first source; isolated from Cladosporium cladosporioides
conocarpanconocarpan: RN given for (2R-(2alpha,3beta,5(E))-isomer; from the roots of Krameria tomentosa (Krameriaceae); structure in first source
2-(4-methoxyphenyl)-1,2-benzothiazol-3-onebenzothiazoles
montaninemontanine: has anxiolytic, antidepressant, and anticonvulsant activities
azd 7762aromatic amide;
thiophenes
cariprazinecariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder.

cariprazine: Structure in first source
cyclic diadenosine phosphatecyclic di-AMP : A cyclic purine dinucleotide that is the 3',5'-cyclic dimer of AMP.adenyl ribonucleotide;
cyclic purine dinucleotide
Mycoplasma genitalium metabolite
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
acetyl-11-ketoboswellic acidacetyl-11-ketoboswellic acid: a 5-lipoxygenase inhibitor; structure given in first sourcetriterpenoid
4-(1-phenylethyl)resorcinol4-(1-phenylethyl)resorcinol: a depigmenting agent for treatment of solar lentigines; structure in first source
tetrodotoxin
spiruchostatin aspiruchostatin A: a potent histone deacetylase inhibitor; structure in first source
calpain inhibitor iiicalpain inhibitor III: potential anticataract drug
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
ptc 124oxadiazole;
ring assembly
n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamideN-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide: MK-0364 is the (1S,2S)-isomer; a cannabinoid-1 receptor inverse agonist; structure in first sourcestilbenoid
epoxomicinmorpholines;
tripeptide
proteasome inhibitor
brivanibaromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
zm 252868PD-153035 hydrochloride : A hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid.hydrochlorideEC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pha 680632PHA 680632: Aurora kinase inhibitor with potent antitumoral activity; structure in first source
procyanidin b1procyanidin B1 : A proanthocyanidin consisting of (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a beta-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach.biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin
anti-inflammatory agent;
EC 3.4.21.5 (thrombin) inhibitor;
metabolite
amd 070mavorixafor: a derivative of AMD3100; a CXCR4 blockeraminoquinoline
fg-4592roxadustat : An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid. It is an inhibitor of hypoxia inducible factor prolyl hydroxylase (HIF-PH).

roxadustat: structure in first source
aromatic ether;
isoquinolines;
N-acylglycine
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
ck0106023CK0106023: is an allosteric inhibitor of KSP motor domain ATPase with a Ki of 12 nM. Among five kinesins tested, CK0106023 was specific for KSP. In tumor-bearing mice.; structure in first source
mp470N-arylpiperazine
rgb 286638
cenicriviroccenicriviroc : A member of the class of benzazocines that is (5Z)-1,2,3,4-tetrahydro-1-benzazocine which is substituted by a 2-methylpropyl, N-{4-[(S)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]phenyl}carboxamide and 4-(2-butoxyethoxy)phenyl groups at positions 1, 5 and 8, respectively. It is a potent chemokine 2 and 5 receptor antagonist currently in development for the treatment of liver fibrosis in adults with nonalcoholic steatohepatitis (NASH).

cenicriviroc: an inhibitor of HIV-1
aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide
anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamideN(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide : A hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing.D-valine derivative;
hydroxamic acid
antineoplastic agent;
autophagy inducer;
EC 3.4.24.24 (gelatinase A) inhibitor;
melanin synthesis inhibitor
pirarubicinanthracycline
np 031112tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy.

tideglusib: an NSAID and neuroprotective agent
benzenes;
naphthalenes;
thiadiazolidine
anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
ki 8751N-(2,4-difluorophenyl)-N'-(4-((6,7-dimethoxy-4-quinolyl)oxy)-2-fluorophenyl)urea: structure in first sourcearomatic ether
bms-626529
nu 74418-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first sourcedibenzothiophenes
at 75194-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
gsk221149aGSK221149A: highly selective oxytocin receptor antagonist; structure in first sourcedipeptide
bms-690514
bi 2536
N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide(trifluoromethyl)benzenes
lipocrinelipocrine: anti-Alzheimer's drug; structure in first source
trihexyltetradecylphosphonium chloridetrihexyltetradecylphosphonium chloride: structure in first source
3-o-acetyl-beta-boswellic acid3-O-acetyl-beta-boswellic acid: isolated from Boswellia serrata; structure in first source
oglemilastoglemilast: a PDE4 inhibitor and NSAID; no further info available 1/2006
inno-406biaryl
compound 26
(5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine(5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine: KR-32570 possesses potent cardioprotective effects in perfused rat hearts, and its effects may be mediated by inhibition of NHE-1, preservation of high-energy phosphates, and inhibition of lipid peroxidation
pochonin dpochonin D: secondary metabolite of Pochonia chlamydosporia; structure in first source
r 1487
nvp-ast487NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells
verubulinverubulin: antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps; structure in first source
adl 5859
Dihydrotanshinone Idihydrotanshinone I: extracted from Radix Salviaeabietane diterpenoidanticoronaviral agent
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
naluzotannaluzotan: an antidepressant and anti-anxiety agent; structure in first source
basimglurant
danusertibpiperazines
alogliptinalogliptin : A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes.

alogliptin: structure in first source
nitrile;
piperidines;
primary amino compound;
pyrimidines
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
rpr260243RPR260243: small molecule activator of the human ether-a-go-go-related gene (HERG) cardiac K+ channel; structure in first source
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamidebenzamides
nvp-aew541
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 8931sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3.aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
5-(2,2-difluorobenzo(1,3)dioxol-5-ylmethylene)thiazolidine-2,4-dione5-(2,2-difluorobenzo(1,3)dioxol-5-ylmethylene)thiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source
arq 197indoles
azd 1152AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor;
prodrug
bay94 9172florbetaben ((18)F) : A member of the class of stilbenoids in which the para-hydrogens of stilbene are replaced by methylamino and 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy) groups. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.(18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline
radioactive imaging agent
pf 00299804dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.

dacomitinib: a pan-ERBB inhibitor
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
alisporiviralisporivir: nonimmunosuppressive cyclosporin analog; structure/sequence in first sourcehomodetic cyclic peptideanticoronaviral agent
gosogliptinamino acid amide
ec 144EC 144: structure in first source
azd2932AZD2932: structure in first source
ridaforolimusmacrolide lactam
dorsomorphindorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling.

dorsomorphin: an AMPK inhibitor
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines
bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
incb 3284INCB 3284: a CCR2 receptor antagonist
ac 261066
quisinostatindoles
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
anacetrapib
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome inhibitor
lapatinib ditosylatequinazolines
e 2012
apremilastaromatic ether;
N-acetylarylamine;
phthalimides;
sulfone
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
PF-00835231PF-00835231 : A primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity.aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
cortistatin acortistatin A : A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3alpha position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17beta enantiomer).

cortistatin A: structure in first source
cortistatins;
diol;
secondary alcohol
mk-0893
mrk 560MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source
pf-2545920
f-amidineF-amidine: structure in first sourceN-acylglycine
glabrolglabrol: from Glycyrrhiza glabra hairy root; structure in first sourceflavanones
cc-930
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamidesulfonamide
digeranyl bisphosphonatedigeranyl bisphosphonate: structure in first source
resminostatresminostat: a histone deacetylase inhibitor; structure in first source
pf 5732286-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first sourcequinolines
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tak 285N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source
l-beta-threo-benzyl-aspartateL-beta-threo-benzyl-aspartate: structure in first source
incb3619INCB3619: ADAM inhibitor; structure in first source
idelalisibidelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.

idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
nebivolol hydrochloride(R,S,S,S)-nebivolol hydrochloride : A hydrochloride obtained by reaction of (R,S,S,S)-nebivolol with one equivalent of hydrochloric acid.

nebivolol hydrochloride : A racemate consisting of equal amounts of (R,S,S,S)- and (S,R,R,R)-nebivolol hydrochloride. A cardioselective beta-blocker, it has vasodilatory activity but lacks intrinsic sympathomimetic and membrane-stabilising activity. It is used as the hydrochloride salt for the management of hypertension, and as an adjunct to standard therapy in elderly patients with stable chronic heart failure.
hydrochloride
crizotinibcrizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)

Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrilebenzimidazoles
as 2524245-(5-(4-fluoro-2-hydroxyphenyl)furan-2-ylmethylene)thiazolidine-2,4-dione: a PI3K gamma inhibitor; structure in first source
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamideVx-11e: ERK1-2 inhibitoraromatic amide;
heteroarene
epelsibanepelsiban: structure in first sourcedipeptide
liphagalliphagal : A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase.

liphagal: selective inhibitor of PI3 kinase alpha isolated from the sponge akacoralliphaga; structure in first source
aldehyde;
cyclic ether;
meroterpenoid;
organic heterotetracyclic compound;
polyphenol
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
metabolite
osi 906cyclobutanes;
quinolines
cgp 57380CGP 57380: inhibits the mitogen-activated protein kinase-interacting kinase Mnk1pyrazolopyrimidine
ro 49563712-chloro-4-((2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine: a metabotropic glutamate receptor 5 antagonist; structure in first source
zstk474ZSTK-474 : A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase.benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
chir-265aromatic ether
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
az-628AZ-628: a multikinase inhibitor; structure in first sourcebenzamides
jnj 28312141
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylaminePF-670462 free base : A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon).aminopyrimidine;
imidazoles;
monofluorobenzenes
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
mk-0249MK-0249: a histamine-3 receptor inverse agonist; structure in first source
resatorvid
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
mln8054benzazepine
pf-562,271indoles
pha 767491PHA 767491: a Cdc7 inhibitor; structure in first sourcepyrrolopyridine
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
abexinostatabexinostat: structure in first sourcebenzofurans
pha 680626
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamideureas
3-hydroxyphloretin3-hydroxyphloretin: compound from Formosan apple that reduces tyrosinase activity in human epidermal melanocytes; structure in first sourcechalcones
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) esterpiperazines
snx-7081SNX-7081: Anti-Inflammatory Agent; structure in first source
6-o-coumaroylcatalpolcinnamate ester
N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamideorganonitrogen compound;
organooxygen compound
empagliflozinaromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
jnj-26483327JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010
at 13387(2,4-dihydroxy-5-isopropylphenyl)-(5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl)methanone: structure in first source

onalespib : A member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor.
benzamides;
isoindoles;
N-alkylpiperazine;
resorcinols;
tertiary carboxamide
antineoplastic agent;
Hsp90 inhibitor
ly2603618ureas
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolaminepyrazoles;
ring assembly
b 015
calcimycinCalcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.benzoxazole
(2R,3S)-EHNA hydrochloride(2R,3S)-EHNA hydrochloride : A hydrochloride salt obtained by reaction of (2R,3S)-EHNA with one equivalent of hydrochloric acid. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.hydrochlorideEC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor
4-methylpyrazole monohydrochloride
veliparibbenzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ku-0060648dibenzothiophenes
sar 1118lifitegrast : An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome).

lifitegrast: An LFA-1 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN-1) antagonist that is used in the treatment of DRY EYE SYNDROMES.
1-benzofurans;
isoquinolines;
L-phenylalanine derivative;
N-acyl-L-alpha-amino acid;
sulfone
anti-inflammatory drug;
lymphocyte function-associated antigen-1 antagonist
tg100801
dactolisibdactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.

dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bgt226BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.

BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
1,5-anhydro-1-(5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl)-1-thioglucitoldiarylmethane
sc1 compound
1-(4-fluorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thioureaorganonitrogen compound;
organooxygen compound
azd8309AZD8309: CXCR2 inhibitor
chidamidebenzamides
chlorhexidine hydrochloride
11-deoxy glycyrrhetinic acidtriterpenoid
oleanonic acidoleanonic acid: structure in first source
roburic acidroburic acid : A tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla.monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid
plant metabolite
(R)-Bitalin Aacetophenones
2-(3-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
eriodictyol 7-O-beta-D-glucopyranosidebeta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone
plant metabolite;
radical scavenger
8-benzylthio-n(6)-n-butyladenosine cyclic-3,5'-monophosphate8-benzylthio-N(6)-n-butyladenosine cyclic-3,5'-monophosphate: may be useful as myocardial stimulant; structure given in first source
hc toxin
ganodermadiolganodermadiol: isolated from Ganoderma lucidum; structure given in first source

ganoderol B : A tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species.
3beta-sterol;
primary allylic alcohol;
tetracyclic triterpenoid
antiviral agent;
fungal metabolite;
hepatoprotective agent
lucidenic acid alucidenic acid A: isolated from fruiting bodies of Ganoderma lucidum; structure in first sourcetriterpenoid
atractylenolide iiatractylenolide II: from Atractylodes ovata; structure in first sourcesesquiterpene lactone
hypocrellin ahypocrellin A: isolated from fungus Hypocrella bambusae sacc
lyonisidelyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer
decominol hydrochloride
6-methoxydihydrosanguinarine6-methoxydihydrosanguinarine: from Corydalis tashiroi (Fumariaceae); structure in first source
n-trans-p-coumaroyl-l-tyrosineN-trans-p-coumaroyl-L-tyrosine: from Theobroma cacao; structure in first sourcetyrosine derivative
vizamylflutemetamol ((18)F) : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by 3-((18)F)fluoro-4-(methylamino)phenyl and hydroxy groups at positions 3 and 6 respectively. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.(18)F radiopharmaceutical;
aromatic amine;
benzothiazoles;
secondary amino compound
radioactive imaging agent
af 3535-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine: a P2X3 and P2X2/3 receptor antagonist; structure in first source
mgl-3196resmetirom: a thyroid hormone receptor-beta agonist
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamineN-(3-fluorophenyl)-1-((4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine: a small molecule motilin receptor agonist; structure in first sourceacetamides
azd 1152-hqpaAZD2811: has antineoplastic activity; structure in first sourceanilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor
[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanonepiperazines
nvp-tae684piperidines
a 803467A 803467: an Nav1.8 sodium channel blocker; structure in first source
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinaminequinazolines
cnv1014802vixotrigine: a sodium channel blocker
amodiaquine hydrochloride
mf63 compoundMF63 compound: a phenanthrene imidazole identified as a potent, selective, and orally active mPGES-1 inhibitor; structure in first source
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source
myxochelin amyxochelin A: structure given in first source; catechole siderophore isolated from Angiococcus disciformis
azumamide eazumamide E: a natural cyclic tetrapeptide isolated from marine sponge Mycale izuensis; histone deacetylase inhibitor; structure in first source
subamolide asubamolide A: cytotoxic constituent of the stems of Cinnamomum subavenium; structure in first source
e 7050aromatic ether
feruloyldopamineferuloyldopamine: a dopamine metabolite isolated from tomatoes after infection by Pseudomonas syringae; structure in first source
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
tanninsgallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose).tannin
r18 peptideR18 peptide: a 20-mer peptide, derived from a phage library, that binds 14-3-3 tau protein; amino acid sequence in first source
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamidedimethoxybenzene
1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]thioureaquinolines
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamideorganonitrogen compound;
organooxygen compound
cct129202
guttiferone kguttiferone K: antiproliferative compound of Rheedia calcicola from the Madagascar rain forest; structure in first source
pamapimodpamapimod : A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis.aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound
antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gdc-0973cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma.

cobimetinib: has antineoplastic activity; structure in first source
aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanonearomatic carboxylic acid;
pyridinemonocarboxylic acid
buparlisibNVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first sourceaminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480
azd8330pyridinecarboxamide
carbetocincarbetocin : Oxytocin in which the hydrogen on the phenolic hydroxy group is substituted by methyl, the amino group on the cysteine residue is substituted by hydrogen, and the sulfur of the cysteine residue is replaced by a methylene group. A synthetic carba-analogue of oxytocin, it is used to control bleeding after giving birth. Like oxytocin, it causes contraction of the uterus.heterodetic cyclic peptideoxytocic
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-GlucopyranosideO-acyl carbohydrate
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-aminebenzenes
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine(trifluoromethyl)benzenes
phenylmercuric acetatePhenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide.arylmercury compound;
benzenes
dibutyltin diacetate
phentin acetatefentin acetate : An organotin compound that is the O-acetyl derivative of triphenyltin hydroxide. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans.

phentin acetate: see also triphenyltin hydroxide.; structure
acetate ester;
organotin compound
antifungal agrochemical
tri-n-butylstannylmethacrylate
thimerosalthimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.

Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.
alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
cryolitecryolite : A mineral originally discovered in Greenland (first described 1799). The name is derived from the Greek kapparhoupsilonomicronsigma (frost) and lambdaiotathetaomicronsigma (stone).

cryolite: structure
inorganic sodium salt;
perfluorometallate salt
pha 848125N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor
ro5126766CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3.

RO5126766: a dual MEK/RAF kinase inhibitor
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistatpevonedistat : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes.

pevonedistat: a potent and selective inhibitor of NAE (NEDD8-activating enzyme)
cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate
antineoplastic agent;
apoptosis inducer
fedratinibfedratinib: a selective small-molecule inhibitor of JAK2sulfonamide
gsk6906931,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 20242-aminopurines;
aromatic ether;
organochlorine compound;
pyridines
antineoplastic agent;
Hsp90 inhibitor
ku 0063794Ku 0063794: an mTOR inhibitor; structure in first sourcebenzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
mTOR inhibitor
5-fluoro-2-indolyldeschlorohalopemidebenzimidazoles
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source
2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl esteraromatic amide;
tert-butyl ester
nvp-bhg712benzamides
azd5438sulfonamide
(e)-3-(2,3,4,5-tetrabromophenyl)acrylic acid(E)-3-(2,3,4,5-tetrabromophenyl)acrylic acid: casein kinase II inhibitor
mk 0571
N-(2-aminophenyl)-2-pyrazinecarboxamidearomatic amide
1-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-5-methoxy-isatinbenzodioxineanticoronaviral agent
gsk 1004723GSK 1004723: structure in first source
cct 128930
pf 04217903quinolines
kd 5170KD 5170: a histone deacetylase inhibitor; structure in first source
gdc 0941pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-onearomatic ketone
zetekitoxin abzetekitoxin AB: a sodium channel blocker; isolated from the frog Atelopus zeteki; structure in first source
lucidenic acid nlucidenic acid N : A tetracyclic triterpenoid that is 25,26,27-trinorlanost-8-en-24-oic acid substituted by hydroxy groups at positions 3 and 7 and oxo groups at positions 11 and 15 respectively (the 3beta,5alpha,7beta stereoisomer). Isolated from the fruiting bodies of Ganoderma lucidum, it exhibits cytotoxicity against tumour cells.

lucidenic acid N: from the dried fruiting bodies of Ganoderma lucidum (polyporaceae); structure in first source
cyclic terpene ketone;
dioxo monocarboxylic acid;
secondary alcohol;
tetracyclic triterpenoid
antineoplastic agent;
EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite
[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzenemonoterpenoid
cudraflavanone acudraflavanone A: antineoplastic from Cudrania tricuspidata; structure in first source
nothofaginnothofagin: a dihydrochalcone
icotinib
ph 797804PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.

PH 797804: an NSAID; structure in first source
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
lu aa33810
5-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
2-(2-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
2-(4-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-oneacetamides
yil 781YIL 781: an appetite suppressant and weight loss promoter; structure in first source
4-[2-[(6-chloro-4-quinazolinyl)amino]ethyl]phenolquinazolines
kx-01
a 8677444-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide: positive modulator of alpha7 nicotinic acetylcholine receptor; structure in first source
p276-00P276-00: antineoplastic, cyclin-dependent kinase inhibitor; structure in first source
azd3988AZD3988: for treatment of obesity and diabetes; structure in first source
tegobuvirtegobuvir: a non-structural protein 5B polymerase inhibitor
montelukast sodiumorganic sodium salt
sodium lactatesodium lactate : An organic sodium salt having lactate as the counterion.

Sodium Lactate: The sodium salt of racemic or inactive lactic acid. It is a hygroscopic agent used intravenously as a systemic and urinary alkalizer.
lactate salt;
organic sodium salt
food acidity regulator;
food preservative
monensin
sodium nitritesodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.

Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.
inorganic sodium salt;
nitrite salt
antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
tanshinone ii a sodium sulfonatetanshinone II A sodium sulfonate: has cardioprotective activity; water-soluble derivative of tanshinone II A; isolated from Salvia militiorrhiza; relieves anginal pain; structure
pd 156707
docusate sodiumorganic sodium salt
acid blue 129
sodium 2,6-dichloroindophenolorganic molecular entity
salinomycin
olaparibcyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines
antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
meriolin 3meriolin 3: a cell death-inducing kinase inhibitor; structure in first source
srt1460SRT1460: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
srt1720
srt2183SRT2183: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamidebenzamides
beta-Elemonic acidbeta-elemonic acid: extracted from Boswellia carteriitriterpenoid
pf-3893787PF-3893787: structure in first source
mk 5108aromatic ether
cx 4945
pci 34051PCI 34051: an HDAC8 inhibitorindolecarboxamide
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source
largazolelargazole: an antiproliferative agent from Symploca; structure in first source
dodoneinedodoneine: has hypotensive activity; isolated from Agelanthus dodoneifolius; structure in first source
amg 4581-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source
arry-614pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein
mk-7009vaniprevir : An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan.

vaniprevir: inhibits hepatitis C virus NS3/4a protease
azamacrocycle;
carbamate ester;
cyclopropanes;
N-sulfonylcarboxamide;
pyrrolidinecarboxamide
antiviral drug;
hepatitis C protease inhibitor
tak 593TAK 593: structure in first source
mln 8237MLN 8237: an aurora kinase A inhibitorbenzazepine
tenovin-6tenovin-6 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide.monocarboxylic acid amide;
tertiary amino compound;
thioureas
antineoplastic agent;
p53 activator;
Sir2 inhibitor
snx 2112SNX 2112: an orally available small molecule Hsp90 inhibitor; structure in first source
gdc 0449HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activitybenzamides;
monochlorobenzenes;
pyridines;
sulfone
antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent
sgx 523aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine
c-Met tyrosine kinase inhibitor;
nephrotoxic agent
bms 754807BMS 754807: an IGR-1R kinase inhibitor; structure in first sourcepyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bms 777607N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first sourcearomatic amide
valbenazinevalbenazine: inhibits vesicular monoamine transporter 2 (VMAT2); used to treat tardive dyskinesia; structure in first source
sgi 1776SGI 1776: a Pim kinase inhibitor; structure in first sourceimidazoles
canagliflozincanagliflozin hydrate : A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2.C-glycosyl compound;
organofluorine compound;
thiophenes
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
ys 1212-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid: inhibits microsomal prostaglanding E2 synthase; structure in first sourcemedium-chain fatty acid
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acidcarboxylic acid;
piperidines
pci 32765ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.

ibrutinib: a Btk protein inhibitor
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
florbetapir f 18florbetapir F-18 : An aromatic ether consisting of a pyridine ring substituted at position 2 by a 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy group and at position 5 and a 2-(4-methylaminophenyl)vinyl group. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.

florbetapir: a PET agent for Abeta plaques; structure in first source
(18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline
radioactive imaging agent
cink4CINK4: cyclin-dependent kinase 4 inhibitor; may have tumor suppression activity; structure in first sourceindoles
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
crx-526CRX-526: aminoalkyl-glucosaminide-phosphate; lipid A-mimetic with anti-inflammatory properties; structure in first source
amg 900N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamideN-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively.benzamides;
biphenyls;
cyclopropanes;
dicarboxylic acid diamide
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
cgi 1746CGI 1746: inhibits Bruton's protein kinase (Btk); structure in first source
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
sch772984biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide
analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ucl 2077benzenoid aromatic compound
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
azd4694AZD4694: an Abeta plaque neuroimaging PET radioligand; structure in first source
N-[[3-fluoro-4-[[2-(1-methyl-4-imidazolyl)-7-thieno[3,2-b]pyridinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamidethioureas
PP121aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
at13148
2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1h-imidazole2-(1-(2-allylphenoxy)ethyl)-4,5-dihydro-1H-imidazole: an alpha2C agonist and alpha2A antagonist; structure in first source
ar 231453
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl esterCAY10603: a HDAC6 inhibitorcarbamate ester
niraparibniraparib : A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy.

niraparib: structure in first source
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
cc-1223-(5-amino-2-methyl-4-oxoquinazolin-3(4H)-yl)piperidine-2,6-dione: a pleiotropic pathway modifier with antineoplastic activity; structure in first source
n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amidebenzenes
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
ro3280RO3280: inhibits polo-like kinase 1; structure in first source
gsk 650394phenylpyridine
lucitanibE-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor

E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine.

E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines
antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist
pf-04691502
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamidemomelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.

N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound
anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
dcc-2036rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agentorganofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor
cep 26401pyridazines;
ring assembly
pf 3246799
pnd 1186PND 1186: has antineoplastic activity; structure in first source
neurotensinneurotensin, Tyr(11)-: RN given refers to parent cpd & (D)-isomer; RN for cpd without isomeric designation not avail 5/91peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary
az 960
cabozantinibcabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.

cabozantinib: a multikinase inhibitor
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
ldc067
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-naphthalenecarboxamidenaphthalenecarboxamide
vu0155069
defactinib
ly2584702
trichostatin rktrichostatin RK: from Streptomyces sp. RK98-A74.; structure in first source
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamidebenzamides
bs 194
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinibHM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric canceracrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties.

ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinibentrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours.

entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sch 1473759SCH 1473759: an antineoplastic agent and aurora inhibitor
bix 01294piperidines
pexidartinibpexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT).

pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cct 137690
bms-790052daclatasvir : A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C.

daclatasvir: an HCV NS5A inhibitor
biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative
antiviral drug;
nonstructural protein 5A inhibitor
TAK-580MLN 2480: brain-penetrant RAF dimer antagonist

TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
gsk 2126458omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.

omipalisib: inhibitor of mTOR protein
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
(R)-DRF053(R)-DRF053 : A member of the class of 2,6-diaminopurines that is 2,6-diamiopurine which is substituted by an isopropyl group at position 9 and in which the amino groups at positions 2 and 6 are substituted by a 1-hydroxybutan-2-yl and 3-(pyridin-2-yl)phenyl groups, respectively (the R enantiomer). A cyclin dependent kinase inhibitor, widely used as its hydrochloride hydrate.2,6-diaminopurines;
phenylpyridine;
primary alcohol;
secondary amino compound
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
emd1214063tepotinib: MET inhibitor
gsk 1838705aorganonitrogen compound;
organooxygen compound
ver 155008VER 155008: structure in first sourcepurine nucleoside
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinolpiperidines
gne 477GNE 477: inhibits phosphatidylinositol 3-kinase and mTOR; structure in first source
gallinamide agallinamide A: antimalarial peptide from marine cyanobacteria
nvp-bep800
ucph 1012-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: structure in first source
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0834
gdc 0980
wye 125132WYE 125132: an antineoplastic agent that inhibits mTORC1 and mTORC2ureas
3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1h-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid: an SHP2 inhibitor; structure in first source
azd2014vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first sourcebenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
pf 8380
5-(4-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(4-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
bi 201335faldaprevir: inhibits hepatitis C virus NS3 protease
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
azd7687AZD7687: structure in first source
gsk 1363089GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first sourcearomatic ether
arry-334543ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source
GDC-0623hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
kin-193pyridopyrimidine
mk 2461
N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]anilino]-5-fluoro-4-pyrimidinyl]amino]benzamidebenzamides
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-chlorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2-fluorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-3-[2-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
3-(2,5-dimethoxyphenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
5-(2-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(3-methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(3-fluorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(2-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(3-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(2-chlorophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrilearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidinebiphenyls;
thienopyrimidine
5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(3-thiophenyl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-(4-dibenzothiophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinedibenzothiophenes;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
1-[2-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanonearomatic ketone;
thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
4-[(1-methyl-5-tetrazolyl)thio]-5-(1-naphthalenyl)thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidinearyl sulfide;
thienopyrimidine
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile6-aminopurines
4-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-dithiazolimineorganochlorine compound
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrileaminoquinoline
4-[3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamidesulfonamide
4-[3-(3-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamidesulfonamide
debio 0932CUDC 305: an Hsp90 inhibitor with antineoplastic activity; structure in first source
bay 869766
as 703026pyridinecarboxamide
pki 402PKI 402: also inhibits mammalian target of rapamycin; structure in first source
pf 04929113
ddd 85646DDD 85646: a trypanocidal agent for treating African sleeping sickness; structure in first source
sar 020106SAR 020106: a CHK1 inhibitor; structure in first source
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl esterWYE-354: an mTOR inhibitor; structure in first sourcecarbamate ester
e-52862
grassystatin agrassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source
debromoaplysiatoxindebromoaplysiatoxin : A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.

debromoaplysiatoxin: sea algae toxin from lyngbya majuscula.; structure
aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal
algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
vasopressin, 1-deamino-4-val-8-arg-
n-(carbamoylmethyl)-3-trifluoromethyl benzamido-4-chlorobenzyl 3-aminopyrrolidine
cort 108297CORT 108297: a fused-ring azadecalin
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamidehydroxyquinoline
p505-15
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
nitd 609NITD 609: an antimalarial and coccidiostat; structure in first source
iwr-1 endoIWR-1-endo : A dicarboximide having an endo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group.benzamides;
bridged compound;
dicarboximide;
quinolines
axin stabilizer;
Wnt signalling inhibitor
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
au-1
bi 653048 bs h3po4BI 653048 BS H3PO4: structure in first source
cp 466722quinazolines
nms p715
1-(4-(3-bromophenoxy)butyl)-1h-imidazole1-(4-(3-bromophenoxy)butyl)-1H-imidazole: structure in first source
myrtucommulone amyrtucommulone A: from the leaves of myrtle, Myrtus communis (Myrtaceae); structure in first sourcearomatic ketone
an2728crisaborole : A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.

crisaborole: NSAID, Dermatologic Agent; structure in first source
aromatic ether;
benzoxaborole;
nitrile
antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
2-((r-5-chloro-4-methoxymethylindan-1-yl)-1h-imidazole)
CAY10626ureas
pf-044552422-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine: has antidepressant activity; structure in first source
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamidemerestinib: in phase I clinical trials (2013); structure in first source
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
5-(2,5-difluorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamidearomatic amide;
furans
5-(2,5-dichlorophenyl)-N-(2,6-dimethoxyphenyl)-2-furancarboxamidearomatic amide;
furans
5-(2,5-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-2-furancarboxamidearomatic amide;
furans
5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)-2-furancarboxamidearomatic amide;
furans
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamidearomatic amide;
furans
3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole: an oligomer modulator
n6022N6022: inhibits S-nitrosoglutathione reductase; structure in first source
pf 3644022
ribociclibribociclib: inhibits both CDK4 and CDK6
pf 04971729ertugliflozin: structure in first sourcediarylmethane
1-(3-aminopropyl)-3-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]thioureaaminopyridine
1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thioureaaminopyridine
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanonearomatic ketone;
thienopyrimidine
(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene : An organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups.organobromine compound;
polyphenol
fluorescent dye
Mps1-IN-2piperidines
mk-80331-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source
kb-nb142-70kb-NB142-70: inhibitor of protein kinase D; structure in first source
mk-7246
sofosbuvirsofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.

Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.
isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester
antiviral drug;
hepatitis C protease inhibitor;
prodrug
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-aminesapanisertib: an mTOR inhibitorbenzoxazole
bay 1000394roniciclib: an antineoplastic agent that inhibits cyclin-dependent kinases; structure in first source
pha 793887piperidinecarboxamide
azd3839AZD3839: a BACE1 inhibitor; structure in first source
abt-348ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source
mk-3102pyrrolopyrazole
tak-632TAK-632 : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively.(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor
ly2784544pyridazines
gsk2256098GSK2256098: a focal adhesion kinase-1 antagonist
gsk 2334470GSK 2334470: a PDK1 inhibitor; structure in first sourceindazoles
sb 1518
abemaciclib
mk-8776
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholineindoles
nvp-bsk805
wzb117WZB117: structure in first source
gsk299423GSK299423: structure in first source
afuresertibamphetamines
xmd 8-92XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway.pyrimidobenzodiazepineprotein kinase inhibitor
hh-gv678flumatinib: an antineoplastic agent and tyrosine kinase inhibitor
gsk143GSK143: a Syk kinase inhibitor; structure in first source
3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1h-imidazol-2-yl)methyl)benzamide3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: a selective activin receptor-like kinase-5 inhibitor
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
azd3514AZD3514: in Phase I clinical trial in patients with castrate-resistant prostate cancer (2/2013); structure in first source
jq1 compoundcarboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
rn486RN486: a selective Bruton's tyrosine kinase inhibitor
deberza2-benzofurans
mpi-0479605MPI-0479605: an antineoplastic agent that inhibits mitotic kinase Mps1; structure in first source
jnj38877605quinolines
vs-5584VS-5584: a highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamidebenzothiazoles
dinaciclibpyrazolopyrimidine
pf-04620110PF-04620110: a DGAT1 inhibitor; structure in first source
etp-46321ETP-46321: inhibits PI3K alpha and PI3K delta; structure in first source
gsk2292767GSK2292767: inhibits phosphoinositide 3-kinase delta; structure in first source
gsk2269557Nemiralisib: PI3K delta - selective inhibitor
ch5164840CH5164840: biotin-labeled version of 17-dimethylaminoethylamino-17-demethoxygeldanamycin (17-DMAG)
ch 5132799CH 5132799: structure in first source
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
AZD1979AZD1979 : A carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist.

AZD1979: an antagonist of melanin concentrating hormone receptor 1; structure in first source
aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes
melanin-concentrating hormone receptor antagonist
gilteritinibgilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.

gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
longdaysin
ML240ML240 : A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP).aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound
antineoplastic agent
glpg0634
torin 1torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines
antineoplastic agent;
mTOR inhibitor
nms-p118NMS-P118: a PARP-1 inhibitor; structure in first source
tubastatin ahydroxamic acid;
pyridoindole;
tertiary amino compound
EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostatpracinostat : A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours.benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
kaf156ganaplacide: antimalarial
bs-181BS-181: a CDK7 inhibitor with antineoplastic activitypyrazolopyrimidine
mk 5046
ipi-145isoquinolines
encorafenibencorafenib: a BRAF inhibitor
bms-911543N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source
gdc-0032
pf-4989216PF-4989216: inhibits phosphatidylinositol 3-kinase; structure in first source
azd4547benzamides;
N-arylpiperazine;
pyrazoles
fibroblast growth factor receptor antagonist
gsk2141795GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source
butyrolactone ibutyrolactone I: selective inhibitor of cdk2 & cdc2 kinase; structure given in first sourcebutenolide
torin 2torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline
antineoplastic agent;
mTOR inhibitor
sphaeropsidin asphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first sourcegamma-lactonemetabolite
pf-4708671
gsk1210151aGSK1210151A: inhibitor of the BET family of proteins; structure in first sourceimidazoquinoline
i-bet726
azd8186
hs-173
bix 02565
n-dodecyl-l-lysine amide
acy-1215ricolinostat: an HDAC6 inhibitor; structure in first sourcepyrimidinecarboxylic acid
(r)-n-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide(R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide: structure in first source
N-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]-2-thiophenecarboxamidearomatic amide
ass234
ml298
chir 98014aminopyrimidine;
C-nitro compound;
diaminopyridine;
dichlorobenzene;
imidazoles;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
hypoglycemic agent;
tau aggregation inhibitor;
Wnt signalling activator
lesinuradlesinurad : A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout.

lesinurad: a uric acid reabsorption inhibitor
aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles
uricosuric drug
gsk2656157biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine: inhibits protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK); structure in first source
pf 4800567PF-4800567 : A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the epsilon isoform of casein kinase 1 (CK1epsilon).aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cudc-907
dcc-2701DCC-2701: inhibits c-Met protein, TIE-2 protein, and vascular endothelial growth factor receptor
ascorbic acidAscorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.

L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.

L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.

vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.
ascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
novobiocinnovobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.

Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189)
carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols
antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracyclinetetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.

Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.
chlortetracyclinechlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.

Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
lfm a13LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
mobicmeloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis.

Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS.
1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide
analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
4,7-Dihydroxy-2H-1-benzopyran-2-onehydroxycoumarin
bromadiolonediarylheptanoid
chlortetracycline hydrochlorideAlexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil
arzanolarzanol: a prenylated alpha-pyrone-phloroglucinol etherodimer from Helichrysum italicum subsp.microphyllum; has antioxidant and cytotoxic activity; structure in first source
N-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarboxamidearomatic amide;
quinolines
a 1062A 1062: inhibits resolvase binding to the res site; structure given in first source
dolutegravirdifluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide
HIV-1 integrase inhibitor
pf 9184
urmc-099URMC-099: inhibits mixed lineage kinase 3
ew-7197vactosertib: a TGF-beta type I receptor kinase inhibitor with antifibrotic and antineoplastic activities; structure in first source
ml299ML299: has antineoplastic activity; structure in first source
AZD3463AZD3463 : A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK.aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sar245408
abt-333dasabuvir : A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

dasabuvir: an antiviral agent
aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide
antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
on123300ON123300: a protein kinase inhibitor; structure in first source
byl719proline derivative
rgfp966
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
apy0201APY0201: a small molecular IL-12/23 inhibitor with pyrazolo[1,5-a]pyrimidine core; structure in first source
mk-8825
saxitoxinsaxitoxin : An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning.

Saxitoxin: A compound that contains a reduced purine ring system but is not biosynthetically related to the purine alkaloids. It is a poison found in certain edible mollusks at certain times; elaborated by GONYAULAX and consumed by mollusks, fishes, etc. without ill effects. It is neurotoxic and causes RESPIRATORY PARALYSIS and other effects in MAMMALS, known as paralytic SHELLFISH poisoning.
alkaloid;
carbamate ester;
guanidines;
ketone hydrate;
paralytic shellfish toxin;
pyrrolopurine
cyanotoxin;
marine metabolite;
neurotoxin;
sodium channel blocker;
toxin
amg 511AMG 511: structure in first source
mi-192MI-192: histone deacetylase 2 and 3 inhibitor; structure in first source
LimKi 3LimKi 3 : A member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2.

LIMKi3: LIMK inhibitor
1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide
LIM kinase inhibitor
cep-28122CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source
pbtz169macozinone: an antitubercular agent; structure in first source
rociletinibrociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source
ceritinibceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer.

ceritinib: an anaplastic lymphoma kinase inhibitor
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
acy-738
2-((1-(3-fluorophenyl)cyclohexyl)amino)-n-hydroxypyrimidine-5-carboxamide
ap26113
ganoderic acid yganoderic acid Y: has antiviral activity; isolated from Ganoderma lucidum; structure in first sourcetriterpenoid
d159687
gs-4589676-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)(1,2,4)triazolo(4,3-a)pyridine: an anti-arrhythmia agent that inhibits late sodium current; structure in first source
cc214-2CC214-2: an mTOR kinase inhibitor; structure in first source
cc-223
cc-1151-ethyl-7-(2-methyl-6-(1H-1,2,4-triazol-3-yl)pyridin-3-yl)-3,4-dihydropyrazino(2,3-b)pyrazin-2(1H)-one: an mTOR kinase inhibitor; structure in first source
azd1208
doravirine
cfi-400945
cc-292spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source
vx-509
vx-970berzosertib: an ATR kinase inhibitorsulfonamide
gs-9973
bay 85-3934
sr-3029SR-3029: highly selective casein kinase 1delta/1epsilon inhibitor with potent antiproliferative properties; structure in first source
trv130
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
epz-6438tazemetostat: a histone methyltransferase EZH2 inhibitor with antineoplastic activity
pf-543PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first sourcesulfonamide
tas-116
g007-lkG007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source
frax486
volitinib
amg319
n2-(1h-indazole-5-yl)-n6-methyl-3-nitropyridine-2,6-diamineKRIBB11 : A member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC50 = 1.2muM) and suppresses tumour growth in mouse xenograft models.

N2-(1H-indazole-5-yl)-N6-methyl-3-nitropyridine-2,6-diamine: a heat shock factor 1 antagonist; structure in first source
chf6001tanimilast: a phosphodiesterase-4 inhibitor; structure in first source
gne-317GNE-317: an mTOR inhibitor also; structure in first source
chr-6494
ajmaline
ML355ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis.

ML355: 12-Lipoxygenase inhibitor
benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
frax597FRAX597: structure in first source
acp-196acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.

acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone: an Hsp90 inhibitor; structure in first source
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide: inhibits HDAC6; structure in first source
osimertinibosimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.

osimertinib: an EGFR tyrosine kinase inhibitor
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
bmx-in-1BMX-IN-1: a BMX tyrosine kinase inhibitor; structure in first source
ly3009120LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties.

LY3009120: a pan-RAF inhibitor; structure in first source
aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
pf-06463922lorlatinib : A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer.

lorlatinib: inhibits both anaplastic lymphoma kinase and c-ros oncogene 1 (ROS1) protein
aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
9-(1-methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinonenaphthyridine derivative
ddd107498DDD107498: has antimalarial activity; structure in first source
pf-06424439PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source
aki603AKI603: an aurora-A kinase inhibitor with antineoplastic activity; structure in first source
1,2-bis(isothiazol-5-yl)disulfane1,2-bis(isothiazol-5-yl)disulfane: structure in first source
af38469
pf-06447475
sar405SAR405: a Vps34 inhibitor with antineoplastic activity; structure in first source
santacruzamate asantacruzamate A: HDAC2 inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.; structure in first sourceorganonitrogen compound;
organooxygen compound
glutaminase
unc2025UNC2025: inhibits both MER and FLT3 kinases; structure in first source
onc201TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source
nelfinavir
CCT251545CCT251545 : A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19.

CCT251545: a Wnt signaling inhibitor; structure in first source
azaspiro compound;
chloropyridine;
pyrazoles
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor
ldc4297LDC4297 : A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity.

LDC4297: a CDK7 inhibitor with antineoplastic activity; structure in first source
aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
azd3759
ly2857785
PF-06446846PF-06446846 : A triazolopyridine that is 3H-[1,2,3]triazolo[4,5-b]pyridine substituted by a 4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl group at position 3. It is a potent inhibitor of PCSK9.

PF-06446846: inhibits translation of PCSK9 ;structure in first source
benzamides;
monochloropyridine;
piperidines;
tertiary carboxamide;
triazolopyridine
antilipemic drug;
EC 3.4.21.61 (kexin) inhibitor
ver-246608VER-246608: inhibits pyruvate dehydrogenase kinase; structure in first source
donecopridedonecopride: a dual serotonin subtype 4 receptor agonist/acetylcholinesterase inhibitor with potential interest for Alzheimer's disease treatment; structure in first source
3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile: a metabotropic glutamate receptor 5 antagonist; structure in first source
gsk1278863daprodustat : A member of the class of barbiturates that is barbituric acid substituted by cyclohexyl groups at positions 1 and 3, and by a (carboxymethyl)aminocarbonyl group at position 5. It is an inhibitor of hypoxia-inducible factor prolyl hydroxylase developed by GlaxoSmithKline for the treatment of anaemia in patients with chronic kidney disease.

GSK1278863: a HIF prolyl hydroxylase inhibitor
centrinonecentrinone: a polo-like kinase 4 inhibitor; structure in first source
aristoforinAristoforin: derivative of hyperforin, is a potent anticancer agent; structure in first source
THZ531THZ531 : A member of the class of indoles that is 5-chloro-4-(1H-indol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine in which the piperidine NH group is substituted by a 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}benzoyl group. It is a first-in-class CDK12 and CDK13 covalent kinase inhibitor with IC50 of 158 nM and 69 nM, respectively.

THZ531: inhibits both CDK12 and CDK13; structure in first source
aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
MZ1organic molecular entity
protac-3
at 9283
otssp167OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity
chir 258
r 1530
can 508CAN 508: has antiangiogenic activity; structure in first source

CAN-508 : A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes.
aromatic amine;
monoazo compound;
phenols;
pyrazoles
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
osi 027OSI 027: inhibits both mTORC1 and mTORC2; structure in first source
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)leucettine L41 : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 muM, respectively).benzodioxoles;
imidazolone;
substituted aniline
autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent
diguanosine tetraphosphateP(1),P(4)-bis(5'-guanosyl) tetraphosphate : A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions.guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
Escherichia coli metabolite;
mouse metabolite
sapropterin(6R)-5,6,7,8-tetrahydrobiopterin : A 5,6,7,8-tetrahydrobiopterin in which the stereocentre at position 6 has R-configuration.

sapropterin : A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer).

sapropterin: RN given refers to parent cpd; co-factor required for catalytic activity of nitric oxide synthases
5,6,7,8-tetrahydrobiopterincoenzyme;
cofactor;
diagnostic agent;
human metabolite
folic acidfolcysteine: used to promote fertility in chickens

vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.
folic acids;
N-acyl-amino acid
human metabolite;
mouse metabolite;
nutrient
rifampinRifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion
angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapineclozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.

Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound
adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
ganciclovir2-aminopurines;
oxopurine
antiinfective agent;
antiviral drug
sildenafilsildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.piperazines;
pyrazolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapineolanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.

Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
pralidoximepralidoxime : A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2.

pralidoxime: RN given refers to parent cpd; chloride was minor descriptor (75-80); on-line & Index Medicus search PRALIDOXIME COMPOUNDS (66-80)
pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
zaprinastzaprinast: anaphylaxis inhibitor; structuretriazolopyrimidines
vardenafilvardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
salinazidaromatic carboxylic acid;
pyridinemonocarboxylic acid
ro 3306RO 3306: structure in first source
Imidazosagatriazinonepyrazolopyrimidine
tyrphostin ag 1112tyrphostin AG 1112: structure given in first source
guanylyl imidodiphosphateguanosine 5'-[beta,gamma-imido]triphosphate : A nucleoside triphosphate analogue that is GTP in which the oxygen atom bridging the beta- to the gamma- phosphate is replaced by a nitrogen atom A non-hydrolyzable analog of GTP, it binds tightly to G-protein in the presence of Mg(2+).

Guanylyl Imidodiphosphate: A non-hydrolyzable analog of GTP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It binds tightly to G-protein in the presence of Mg2+. The nucleotide is a potent stimulator of ADENYLYL CYCLASES.
nucleoside triphosphate analogue
thiolactomycinthiolactomycin: from actinomycetes; structure given in first source
bl 4162aanagrelide : A 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions.

anagrelide: imidazoquinazoline derivative which lowers platelet count probably by inhibiting thrombopoiesis and reduces platelet aggregation; used for thrombocythemia; structure in first source
imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
norclozapineN-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.

norclozapine: structure given in first source
dibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
1-hydroxyphenazine1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position.

1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa
phenazines
2-pyridin-4-yl-1H-quinazolin-4-oneorganonitrogen heterocyclic compound
pelrinonepelrinone: structure given in first source
sildenafil citratesildenafil citrate : The citrate salt of sildenafil.

Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
tegaserod maleatemaleate saltserotonergic agonist
hymenialdisine
6-hydroxymethylpterin
isogranulatimideisogranulatimide: G2 checkpoint inhibitor; structure in first source
xav939XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group.

XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source
(trifluoromethyl)benzenes;
thiopyranopyrimidine
tankyrase inhibitor
ag-879AG-879: structure given in first source
hesperadin
nintedanibnintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
pyridine-2-aldoximepyridine-2-aldoxime: RN given refers to parent cpd
7-bromoindirubin-3'-oxime7-bromoindirubin-3'-oxime: has mild protein kinase inhibitory activity; induces caspase-independent cell death; structure in first source
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamidequinazolines
2-(4-methoxyphenyl)-1H-quinazolin-4-onequinazolines
heliomycinheliomycin: Russian drug; antibiotic with antiviral properties isolated from Actinomyces flavochromogenes var. heliomycini; structure
isaindigotoneisaindigotone: 3-arylidenepyrrolo(2,1-b)quinazoline-9-one from Isatis indigotica; structure in first source
lixazinonelixazinone: structure given in first source
bis(3',5')-cyclic diguanylic acidcyclic purine dinucleotide;
guanyl ribonucleotide
immunomodulator;
signalling molecule
cnb 001
bms 536924BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source
2-hydroxyphenazinephenazines
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-onequinazolines
asoxime chloride
clozapine n-oxideclozapine N-oxide: structure given in first sourcedibenzodiazepine
pralidoxime chlorideorganic chloride salt;
pyridinium salt
cholinergic drug;
cholinesterase reactivator
desmethylolanzapinedesmethylolanzapine: structure in first sourcebenzodiazepine
ver-50589VER-50589: inhibits heat shock protein 90 molecular chaperone; structure in first source
febantelfebantel: structurearyl sulfide
amg531
7-methyl-GTPguanosine 5'-phosphate
discorhabdin ldiscorhabdin L: cytotoxic alkaloid from the sponge Latrunculia brevis; structure in first source
debromohymenialdisine
cyclic guanosine monophosphate-adenosine monophosphatec-GMP-AMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'-linkages.adenyl ribonucleotide;
cyclic purine dinucleotide;
guanyl ribonucleotide
galloflavingalloflavin: structure in first source
2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone2-(1-(ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-enone: an alkyl ketone herbicide; structure given in first sourcemixture
hydrazinocurcuminhydrazinocurcumin : A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine.

hydrazinocurcumin: structure in first source
aromatic ether;
olefinic compound;
polyphenol;
pyrazoles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
way 267464
5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazolepyrazoles;
ring assembly
ver 52296luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols
angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
bay 73-6691BAY 73-6691: potent and selective inhibitor of phosphodiesterase 9; structure in first source
cyclic guanosine monophosphate-adenosine monophosphate2'-3'-cGAMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'- and 2',5'-linkages respectively.adenyl ribonucleotide;
cyclic purine dinucleotide;
guanyl ribonucleotide
6-((3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one
XL413XL413 : A benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties.benzofuropyrimidine;
organochlorine compound;
pyrrolidines
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bay 60-7550
sta 9090ring assembly;
triazoles
bmn 673talazoparib: inhibits both PARP1 and PARP2; structure in first source
pf-477736PF 00477736: a Chk1 inhibitor; structure in first source

PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).
bay 80-6946copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies.

copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source
trimedoxime bromideTrimedoxime: Cholinesterase reactivator used as an antidote in alkyl phosphate poisoning.
pp242torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine
antineoplastic agent;
mTOR inhibitor
obidoxime chloride
thiamet g
nms-e973NMS-E973: structure in first source
n-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide
as1940477
crt 0066101CRT 0066101: protein kinase D inhibitor with antineoplastic activity
nvp-tnks656
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamideN-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-cyclohexyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.53 muM).aldehyde;
indolecarboxamide;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor