Page last updated: 2024-10-24

serine-type endopeptidase activity

Definition

Target type: molecularfunction

Catalysis of the hydrolysis of internal, alpha-peptide bonds in a polypeptide chain by a catalytic mechanism that involves a catalytic triad consisting of a serine nucleophile that is activated by a proton relay involving an acidic residue (e.g. aspartate or glutamate) and a basic residue (usually histidine). [GOC:mah, https://www.ebi.ac.uk/merops/about/glossary.shtml#CATTYPE]

Serine-type endopeptidases are a large and diverse family of enzymes that catalyze the hydrolysis of peptide bonds within protein molecules. They are characterized by the presence of a catalytic triad consisting of a serine residue, a histidine residue, and an aspartic acid residue. These residues work together to facilitate the cleavage of the peptide bond.

The catalytic mechanism of serine-type endopeptidases involves a two-step process:

1. **Nucleophilic attack:** The hydroxyl group of the serine residue in the active site attacks the carbonyl carbon of the peptide bond, forming a covalent intermediate known as an acyl-enzyme. This step is facilitated by the histidine residue, which acts as a base to deprotonate the serine hydroxyl group, making it a better nucleophile.

2. **Hydrolysis:** Water molecules then attack the carbonyl carbon of the acyl-enzyme intermediate, breaking the covalent bond and releasing the carboxyl terminus of the peptide. This step is facilitated by the aspartic acid residue, which acts as an acid to protonate the water molecule, making it a better nucleophile.

The serine-type endopeptidases play a crucial role in a wide range of biological processes, including protein degradation, signal transduction, and immune response. They are involved in the breakdown of proteins during digestion, the activation of enzymes and hormones, and the regulation of inflammation.

Some examples of serine-type endopeptidases include:

* **Trypsin:** A digestive enzyme that breaks down proteins in the small intestine.
* **Chymotrypsin:** Another digestive enzyme that cleaves peptide bonds adjacent to aromatic amino acids.
* **Elastase:** An enzyme that breaks down elastin, a protein found in connective tissues.
* **Thrombin:** An enzyme involved in blood clotting.
* **Caspases:** A family of enzymes involved in apoptosis (programmed cell death).

The activity of serine-type endopeptidases is highly specific and can be regulated by various factors, including pH, temperature, and the presence of inhibitors. These enzymes are often targeted by drugs to treat diseases, such as cancer and cardiovascular disease.'
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Proteins (112)

ProteinDefinitionTaxonomy
ATP-dependent Clp protease proteolytic subunitAn ATP-dependent Clp protease proteolytic subunit that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0A6G7]Escherichia coli K-12
Rhomboid protease GlpGA rhomboid protease GlpG that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P09391]Escherichia coli K-12
Signal peptidase IA signal peptidase I that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P00803]Escherichia coli K-12
Prolyl endopeptidaseA prolyl endopeptidase that is encoded in the genome of cow. [OMA:Q9XTA2, PRO:DNx]Bos taurus (cattle)
Anionic trypsin[no definition available]Bos taurus (cattle)
Plasminogen A plasminogen that is encoded in the genome of cow. [OMA:P06868, PRO:DNx]Bos taurus (cattle)
Cationic trypsinA protein that is a translation product of any of the following genes in cowBos taurus (cattle)
Coagulation factor XA coagulation factor X that is encoded in the genome of cow. [OMA:P00743, PRO:DNx]Bos taurus (cattle)
Prothrombin A prothrombin that is encoded in the genome of cow. [OMA:P00735, PRO:DNx]Bos taurus (cattle)
Prolyl endopeptidase FAP[no definition available]Bos taurus (cattle)
Kallikrein-5A kallikrein-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y337]Homo sapiens (human)
Membrane-bound transcription factor site-1 proteaseA membrane-bound transcription factor site-1 protease that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14703]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 8A disintegrin and metalloproteinase domain-containing protein 8 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P78325]Homo sapiens (human)
Matrix metalloproteinase-14A matrix metalloproteinase-14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50281]Homo sapiens (human)
Collagenase 3A collagenase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P45452]Homo sapiens (human)
Cathepsin KA cathepsin K that is encoded in the genome of human. [PRO:WCB, UniProtKB:P43235]Homo sapiens (human)
Macrophage metalloelastaseA macrophage metalloelastase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P39900]Homo sapiens (human)
Dipeptidyl peptidase 4A dipeptidyl peptidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P27487]Homo sapiens (human)
Cathepsin SA cathepsin S that is encoded in the genome of human. [PRO:DNx, UniProtKB:P25774]Homo sapiens (human)
Stromelysin-3A stromelysin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24347]Homo sapiens (human)
MyeloblastinA myeloblastin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24158]Homo sapiens (human)
Neutrophil collagenaseA neutrophil collagenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22894]Homo sapiens (human)
Matrix metalloproteinase-9A matrix metalloproteinase-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14780]Homo sapiens (human)
FurinA furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958]Homo sapiens (human)
Stromelysin-2A stromelysin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09238]Homo sapiens (human)
MatrilysinA matrilysin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09237]Homo sapiens (human)
Cathepsin GA cathepsin G that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08311]Homo sapiens (human)
Stromelysin-1A stromelysin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08254]Homo sapiens (human)
72 kDa type IV collagenaseA 72 kDa type IV collagenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08253]Homo sapiens (human)
Neutrophil elastaseA neutrophil elastase that is encoded in the genome of human. [PRO:CNA, UniProtKB:P08246]Homo sapiens (human)
Trypsin-2A trypsin-2 that is encoded in the genome of human. [PRO:DAN, UniProtKB:P07478]Homo sapiens (human)
Trypsin-1A serine protease 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07477]Homo sapiens (human)
Prostate-specific antigenA prostate-specific antigen that is encoded in the genome of human. [PRO:CNA, UniProtKB:P07288]Homo sapiens (human)
Interstitial collagenaseAn interstitial collagenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03956]Homo sapiens (human)
Complement factor BA complement factor B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00751]Homo sapiens (human)
Tissue-type plasminogen activatorA tissue-type plasminogen activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00750]Homo sapiens (human)
Urokinase-type plasminogen activatorA urokinase-type plasminogen activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00749]Homo sapiens (human)
Complement factor DA complement factor D that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00746]Homo sapiens (human)
Complement C1r subcomponentA complement C1r subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00736]Homo sapiens (human)
Cathepsin L2A cathepsin L2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60911]Homo sapiens (human)
Transmembrane protease serine 2A transmembrane protease serine 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15393]Homo sapiens (human)
Chymotrypsin-CA chymotrypsin-C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99895]Homo sapiens (human)
Hepatocyte growth factor activatorA hepatocyte growth factor activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04756]Homo sapiens (human)
Proprotein convertase subtilisin/kexin type 7A proprotein convertase subtilisin/kexin type 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16549]Homo sapiens (human)
Tryptase gammaA tryptase gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRR2]Homo sapiens (human)
Tryptase deltaA tryptase delta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BZJ3]Homo sapiens (human)
Suppressor of tumorigenicity 14 proteinA suppressor of tumorigenicity 14 protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5Y6]Homo sapiens (human)
Kallikrein-4A kallikrein-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y5K2]Homo sapiens (human)
Kallikrein-5A kallikrein-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y337]Homo sapiens (human)
Chymotrypsin-like elastase family member 1A chymotrypsin-like elastase family member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UNI1]Homo sapiens (human)
Transmembrane protease serine 4A transmembrane protease serine 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRS4]Homo sapiens (human)
Kallikrein-6A kallikrein-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92876]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)
Transmembrane protease serine 6A transmembrane protease serine 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IU80]Homo sapiens (human)
ATP-dependent Clp protease proteolytic subunit, mitochondrialAn ATP-dependent Clp protease proteolytic subunit, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16740]Homo sapiens (human)
Tryptase alpha/beta-1A tryptase alpha/beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15661]Homo sapiens (human)
Membrane-bound transcription factor site-1 proteaseA membrane-bound transcription factor site-1 protease that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14703]Homo sapiens (human)
Prolyl endopeptidase FAPA prolyl endopeptidase FAP that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12884]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 8A disintegrin and metalloproteinase domain-containing protein 8 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P78325]Homo sapiens (human)
Dipeptidyl peptidase 1A dipeptidyl peptidase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53634]Homo sapiens (human)
Matrix metalloproteinase-14A matrix metalloproteinase-14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50281]Homo sapiens (human)
Kallikrein-7A kallikrein-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49862]Homo sapiens (human)
Prolyl endopeptidaseA prolyl endopeptidase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48147]Homo sapiens (human)
Collagenase 3A collagenase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P45452]Homo sapiens (human)
Cathepsin KA cathepsin K that is encoded in the genome of human. [PRO:WCB, UniProtKB:P43235]Homo sapiens (human)
Macrophage metalloelastaseA macrophage metalloelastase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P39900]Homo sapiens (human)
Lon protease homolog, mitochondrialA Lon protease, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36776]Homo sapiens (human)
Trypsin-3A trypsin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35030]Homo sapiens (human)
Dipeptidyl peptidase 4A dipeptidyl peptidase 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P27487]Homo sapiens (human)
Cathepsin SA cathepsin S that is encoded in the genome of human. [PRO:DNx, UniProtKB:P25774]Homo sapiens (human)
Stromelysin-3A stromelysin-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24347]Homo sapiens (human)
MyeloblastinA myeloblastin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24158]Homo sapiens (human)
ChymaseA chymase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23946]Homo sapiens (human)
Neutrophil collagenaseA neutrophil collagenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P22894]Homo sapiens (human)
Tryptase beta-2A tryptase beta-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20231]Homo sapiens (human)
Chymotrypsinogen BA chymotrypsinogen B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17538]Homo sapiens (human)
Matrix metalloproteinase-9A matrix metalloproteinase-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P14780]Homo sapiens (human)
Tissue factorA tissue factor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P13726]Homo sapiens (human)
AcrosinAn acrosin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10323]Homo sapiens (human)
FurinA furin that is encoded in the genome of human. [PRO:CNA, UniProtKB:P09958]Homo sapiens (human)
Complement C1s subcomponentA complement C1s subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09871]Homo sapiens (human)
Pro-cathepsin HA cathepsin H that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09668]Homo sapiens (human)
Stromelysin-2A stromelysin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09238]Homo sapiens (human)
MatrilysinA matrilysin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09237]Homo sapiens (human)
Coagulation factor VIIA coagulation factor VII that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08709]Homo sapiens (human)
Cathepsin GA cathepsin G that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08311]Homo sapiens (human)
Stromelysin-1A stromelysin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08254]Homo sapiens (human)
72 kDa type IV collagenaseA 72 kDa type IV collagenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08253]Homo sapiens (human)
Neutrophil elastaseA neutrophil elastase that is encoded in the genome of human. [PRO:CNA, UniProtKB:P08246]Homo sapiens (human)
Trypsin-2A trypsin-2 that is encoded in the genome of human. [PRO:DAN, UniProtKB:P07478]Homo sapiens (human)
Trypsin-1A serine protease 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07477]Homo sapiens (human)
Prostate-specific antigenA prostate-specific antigen that is encoded in the genome of human. [PRO:CNA, UniProtKB:P07288]Homo sapiens (human)
Kallikrein-1A kallikrein-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P06870]Homo sapiens (human)
Serine protease hepsinA serine protease hepsin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05981]Homo sapiens (human)
Vitamin K-dependent protein CA vitamin K-dependent protein C that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04070]Homo sapiens (human)
Interstitial collagenaseAn interstitial collagenase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03956]Homo sapiens (human)
Plasma kallikreinA plasma kallikrein that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03952]Homo sapiens (human)
Coagulation factor XIA coagulation factor XI that is encoded in the genome of human. [PRO:DNx, UniProtKB:P03951]Homo sapiens (human)
Complement factor BA complement factor B that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00751]Homo sapiens (human)
Tissue-type plasminogen activatorA tissue-type plasminogen activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00750]Homo sapiens (human)
Urokinase-type plasminogen activatorA urokinase-type plasminogen activator that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00749]Homo sapiens (human)
Coagulation factor XIIA coagulation factor XII that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00748]Homo sapiens (human)
PlasminogenA plasminogen that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00747]Homo sapiens (human)
Complement factor DA complement factor D that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00746]Homo sapiens (human)
Coagulation factor XA coagulation factor X that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00742]Homo sapiens (human)
Coagulation factor IXA coagulation factor IX that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00740]Homo sapiens (human)
Complement C1r subcomponentA complement C1r subcomponent that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00736]Homo sapiens (human)
ProthrombinA prothrombin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00734]Homo sapiens (human)
Cathepsin L2A cathepsin L2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60911]Homo sapiens (human)
Kallikrein-8A kallikrein-8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60259]Homo sapiens (human)
Transmembrane protease serine 11DA transmembrane protease serine 11D that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60235]Homo sapiens (human)
Transmembrane protease serine 2A transmembrane protease serine 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15393]Homo sapiens (human)

Compounds (700)

CompoundDefinitionClassesRoles
2,3-dihydroxybenzoic acid2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.

2,3-dihydroxybenzoic acid: RN given refers to parent cpd

dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.
dihydroxybenzoic acidhuman xenobiotic metabolite;
plant 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
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
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
4-methylumbelliferyl acetate4-methylumbelliferyl acetate : An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.acetate ester;
coumarins
plant 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
aminocaproic acid6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.

Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid
antifibrinolytic drug;
hematologic agent;
metabolite
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
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
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
phenethylamine2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.

phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016
alkaloid;
aralkylamine;
phenylethylamine
Escherichia coli metabolite;
human metabolite;
mouse metabolite
5-phenylhydantoin, (+-)-isomer5-phenylhydantoin: structure given in first source
tryptamineaminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines
human metabolite;
mouse metabolite;
plant metabolite
beta-resorcylic acidbeta-resorcylic acid: RN given refers to parent cpd; structure
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
3-nitrobenzeneboronic acid
4-aminobenzamidine4-aminobenzamidine: a urokinase inhibitor; inhibits acrosin; structure given in first source
4-iodine-benzo(b)thiophene-2-carboxamidine
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
6,7-dichloroquinoxaline-2,3-dionequinoxaline derivative
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
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
acetohydroxamic acidacetohydroxamic acid : A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group.

acetohydroxamic acid: urease inhibitor

N-hydroxyacetimidic acid : A carbohydroximic acid consisting of acetimidic acid having a hydroxy group attached to the imide nitrogen.

oxime : Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.
acetohydroxamic acids;
carbohydroximic acid
algal metabolite;
EC 3.5.1.5 (urease) inhibitor
ethacridineEthacridine: A topically applied anti-infective agent.acridines
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
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
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
benzamidebenzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.benzamides
benzamidinebenzamidine : A carboxamidine that is benzene carrying an amidino group.

benzamidine: RN given refers to parent cpd
benzenes;
carboxamidine
serine protease inhibitor
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
benzo(b)thiophene-2-boronic acidbenzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source
bis(5-amidino-2-benzimidazolyl)methanebis(5-amidino-2-benzimidazolyl)methane: aromatic diamidine which has a significant suppressive effect on the cytopathology & yield of respiratory synctial (RS) virus; RN given refers to parent cpd
busulfanmethanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
camostatcamostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
carmofurorganohalogen compound;
pyrimidines
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
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
N-[4-(4-morpholinyl)butyl]-2-benzofurancarboxamideCL82198: a selective inhibitor of MMP13benzofurans
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
dapiDAPI: RN given refers to parent cpd.indolesfluorochrome
diazoxidediazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.

Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.
benzothiadiazine;
organochlorine compound;
sulfone
antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
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
benzophenonebenzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.benzophenonesphotosensitizing agent;
plant metabolite
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
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
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
emodinemodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.

Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
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
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluspirileneFluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.diarylmethane
gabexateGabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.benzoate ester
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
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
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
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
hydroxyzinehydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.

Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine
anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
7-amino-4-chloro-3-methoxy-2-benzopyran-1-oneisocoumarins
staurosporine aglyconestaurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor
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
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
metforminmetformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.

Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289)
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
methazolamideMethazolamide: A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma.sulfonamide;
thiadiazoles
entinostatbenzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
fidexabanFidexaban: structure in first source
way 151693
n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidideN(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation
nafamostatnafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplasticbenzoic acids;
guanidines
netropsinNetropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research.
nevirapinenevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.

Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.
cyclopropanes;
dipyridodiazepine
antiviral drug;
HIV-1 reverse transcriptase inhibitor
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
nimesulidenimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.

nimesulide: structure
aromatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
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
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
phenylmethylsulfonyl fluoridephenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group.

Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex.
acyl fluorideserine proteinase inhibitor
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
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
pyrimethamineMaloprim: contains above 2 cpdsaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
1,2,5,8-tetrahydroxy anthraquinone1,2,5,8-tetrahydroxy anthraquinone: structure in first source

quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions.
tetrahydroxyanthraquinoneEC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ro 15-4513Ro 15-4513: a partial inverse agonist of benzodiazepine receptorsorganic heterotricyclic compound;
organonitrogen heterocyclic compound
ro 31-8220Ro 31-8220: a protein kinase C inhibitorimidothiocarbamic ester;
indoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor
salicylamidesalamide: a major impurity of hydrochlorothiazide; structure in first sourcephenols;
salicylamides
antirheumatic drug;
non-narcotic analgesic
secobarbitalsecobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.

Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity.
barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
sulfaguanidinesulfaguanidine : A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine

Sulfaguanidine: A sulfanilamide antimicrobial agent that is used to treat enteric infections.
sulfonamide antibioticantiinfective agent
sulfasalazinesulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.

Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907)
thiethylperazinethiethylperazine : A member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2.

Thiethylperazine: A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457)
N-methylpiperazine;
phenothiazines
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
tranexamic acidTranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage.amino acid
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
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
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
trimetrexateTrimetrexate: A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against PNEUMOCYSTIS PNEUMONIA in AIDS patients. Myelosuppression is its dose-limiting toxic effect.
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
triiodothyronine3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.

Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
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
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
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
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
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
chlorphenoxaminechlorphenoxamine: minor descriptor (66-84); on-line & Index Medicus search ETHYLAMINES (66-84); RN given refers to parent cpddiarylmethaneanticoronaviral agent
3-mercaptopropionic acid3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.

3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.
mercaptopropanoic acidalgal metabolite
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
acenaphthenequinoneacenaphthoquinone : An orthoquinone that is the 1,2-dioxo derivative of acenaphthene.orthoquinoneschain carrier;
epitope
9,10-phenanthrenequinone9,10-phenanthrenequinone: structurephenanthrenes
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
5-bromoisatinindolesanticoronaviral agent
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
proflavine3,6-diaminoacridine : An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.

Proflavine: Topical antiseptic used mainly in wound dressings.
aminoacridinesantibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator
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
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
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
methyl gallatemethyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties.

methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum
gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
benzylamineaminotoluene : Any member of the class of toluenes carrying one or more amino groups.aralkylamine;
primary amine
allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite
3,4,5-trimethoxybenzoic acid3,4,5-trimethoxybenzoic acid : A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents.

3,4,5-trimethoxybenzoic acid: RN given refers to parent cpd; structure
benzoic acids;
methoxybenzenes
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
isatoic anhydrideisatoic anhydride: structure given in first source
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
benzoinbenzoins;
secondary alpha-hydroxy ketone
EC 3.1.1.1 (carboxylesterase) inhibitor
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
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
aminoethylpiperazineaminoethylpiperazine: RN given refers to parent cpd with specified locant
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
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
indirubin
chrysophanic acidchrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260

chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity.
dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant 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
isocarbostyrilisoquinolinone : An isoquinoline containing one or more oxo groups.isoquinolines
benzohydroxamic acid
1,3-cyclohexanedione1,3-cyclohexanedione: structure

cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3.
beta-diketone;
cyclohexanedione
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite
dihydrotestosterone17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.

17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.

Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.
17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
physcionephyscion : A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources.

physcione: structure
dihydroxyanthraquinoneanti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite
isoquinoline-1,3,4-trioneisoquinoline-1,3,4-trione: structure in first source
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
tropolonetropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.

Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).
alpha-hydroxy ketone;
cyclic ketone;
enol
bacterial metabolite;
fungicide;
toxin
diphenylcarbazonediphenylcarbazone: sensitive reagent for Hg, for which it gives blue color; structure
jkl 1073a8-oxoberberine: structure given in first source
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-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
1,2-Dihydroquinolin-2-imineaminoquinoline
n-hydroxyurethaneN-hydroxyurethane: structure
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
5-methylisatin5-methylisatin: structure in first source
dibrompropamidinearomatic ether
Berberine chloride (TN)organic molecular entity
2-aminobenzimidazole2-aminobenzimidazole : A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group.

2-aminobenzimidazole: metabolite of benomyl; RN given refers to parent cpd
benzimidazolesmarine xenobiotic metabolite
4-phenylpyridinephenylpyridine
bentranilbentranil : A benzoxazine that is 4H-3,1-benzoxazin-4-one substituted by a phenyl group at position 2. It is a postemergence herbicide used for the control of annual weeds in cereal crops, maize, and rice.benzoxazineherbicide
2-acetylpyridine2-acetylpyridine: structure in first sourcearomatic ketone
dichlorobenzyl alcohol2,4-dichlorobenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines.benzyl alcohols;
dichlorobenzene
antiseptic drug
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
phenylguanidinephenylguanidine: RN given refers to parent cpd
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
3-phenylpropylamine3-phenylpropylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 3-aminopropyl group.benzenes;
phenylalkylamine;
primary amino compound
n-methylisatinN-methylisatin: structure given in first source
acetophenazineacetophenazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2.

acetophenazine: major descriptor (73-85); minor descriptor (64-72); on-line search PHENOTHIAZINES (64-85); Index Medicus search PHENOTHIAZINES (64-72); ACETOPHENAZINE (73-85); RN given refers to parent cpd
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
phenothiazines
phenothiazine antipsychotic drug
palmatineburasaine: structure in first sourceberberine alkaloid;
organic heterotetracyclic compound
plant metabolite
9-amino-6-chloro-2-methoxyacridine
2-(aminomethyl)pyridinepyridines
vidarabineadenine arabinoside : A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.beta-D-arabinoside;
purine nucleoside
antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
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
clodronic acidclodronic acid : An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.

Clodronic Acid: A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification.
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound
antineoplastic agent;
bone density conservation agent
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
4-nitrophenyl 4'-guanidinobenzoate4-nitrophenyl 4'-guanidinobenzoate: kallikrein substrate; acrosin antagonist in sperm; serine esterase inhibitor; RN given refers to parent cpd; structure
acetylacetoneacetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.beta-diketone
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
canadinecanadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.

canadine: RN given refers to cpd without isomeric designation; structure
aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
2-aminotetralin2-aminotetralin: RN given refers to parent cpd without isomeric designation; structuretetralins
etoposidebeta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound
antineoplastic agent;
DNA synthesis inhibitor
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
5-Methoxyisatinindolesanticoronaviral agent
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
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
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
1,2-di(5-amidino-2-benzofuranyl)ethane1,2-di(5-amidino-2-benzofuranyl)ethane: preferential inhibitor of bovine factor Xa; structure given in first source
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
piritreximpiritrexim: RN given refers to parent cpd; structure given in first source
quinpirolequinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist.

Quinpirole: A dopamine D2/D3 receptor agonist.
pyrazoloquinolinedopamine agonist
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
2'-carbomethoxyphenyl 4-guanidinobenzoate2'-carbomethoxyphenyl 4-guanidinobenzoate: potent inhibitor of the sperm enzyme acrosin
gemcitabinegemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
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
tiludronic acidtiludronic acid: a bone resorption inhibitor; an antihypercalcemic agent; used in the tratment of Paget's disease; used in the treatment and prevention of osteoporosis; structure given in first sourceorganochlorine compound
3-methyl-1,2-cyclopentanedione3-methyl-1,2-cyclopentanedione: a peroxynitrite scavenger isolated from coffee extract; structure in first sourcecyclic ketone
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
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
baicalindihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative
antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
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
2,4-diaminoquinazoline
hexamidinehexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.aromatic ether;
guanidines;
polyether
antimicrobial agent;
antiseptic drug
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.

pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent
gallate ester;
galloyl beta-D-glucose
anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
secoisolariciresinol(-)-secoisolariciresinol : An enantiomer of secoisolariciresinol having (-)-(2R,3R)-configuration.

secoisolariciresinol : A lignan that is butane-1,4-diol in which the 2 and 3 positions are substituted by 4-hydroxy-3-methoxybenzyl groups

secoisolariciresinol: RN given refers to ((R-(R*,R*))-isomer); RN for cpd without isomeric designation not available 8/89; precursor of lignans found in human urine; structure given in first source
secoisolariciresinolantidepressant;
phytoestrogen;
plant metabolite
4-aminomethylbenzoic acidbenzoic acids
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
midesteinemidesteine: a cyclic thiolic neutrophil elastase inhibitor
inogatraninogatran: a direct low molecular weight thrombin inhibitor
4-methylbenzylamine
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
4-fluorobenzylamine
4,4,4-trifluoro-1-phenyl-1,3-butanedione4,4,4-trifluoro-1-phenyl-1,3-butanedione: can trap reactive metabolites of carcinogens
n-acetyltyrosineN-acetyl-L-tyrosine : An N-acetyltyrosine in which the chiral centre has L configuration.N-acetyltyrosine;
N-acyl-L-tyrosine
biomarker;
EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor;
human urinary metabolite
amiloride hydrochlorideamiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.hydratediuretic;
sodium channel blocker
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
epiroprimepiroprim: an analog of trimethoprim with improved antimicrobial and pharmacokinetic properties; structure given in first source
piloty's acidPiloty's acid: structure in first sourcesulfonamide
4-hydroxyquinoline4-quinolone : A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4.monohydroxyquinoline;
quinolone
4-benzoylbenzoic acid4-carboxybenzophenone: a photosensitizer agent
malvidin chloride
carbobenzoxyphenylalaninecarbobenzoxyphenylalanine: RN given refers to (L-Phe)-isomer
copper histidineD-alpha-amino acid;
histidine;
polar amino acid zwitterion
Saccharomyces cerevisiae metabolite
aminoquinuride
phenylalanineD-alpha-amino acid;
D-alpha-amino acid zwitterion;
phenylalanine
ubenimexubenimex: growth inhibitor
epicatechin(-)-epicatechin : A catechin with (2R,3R)-configuration.catechin;
polyphenol
antioxidant
hesperetin3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antineoplastic agent;
antioxidant;
plant metabolite
methotrimeprazinemethotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.

Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604)
phenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
tetrahydropalmatinean (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound
adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
leupeptinaldehyde;
tripeptide
bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
sori 8895SoRI 8895: RN 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
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
sennoside Asennoside A : A member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S.oxo dicarboxylic acid;
sennosides
2-chloranil
hederagenindihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
plant metabolite
echinocystic acidtriterpenoid
2,6-dimethylphenylphthalimide2,6-dimethylphenylphthalimide: enhances alpha-tumor necrosis factor production; structure in first source
calpeptinamino acid amide
Pyrrolidine-1-carbonitrilepyrrolidines
1-aminoisoquinoline
2-amino-1-methylbenzimidazole2-amino-1-methylbenzimidazole: structure in first sourcebenzimidazoles
iodophthalein
4-methoxybenzylamine1-(4-methoxyphenyl)methanamine : An aralkylamino compound that is benzylamine substituted by a methoxy group at the para position.aralkylamino compound;
aromatic ether;
primary amino compound
p-Aminobenzamidine dihydrochlorideorganic molecular entity
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
benzamidine hydrochloride
5-chloroindole-2-carboxylate5-chloroindole-2-carboxylate: N-methyl-D-aspartate glycine site antagonistindolyl carboxylic acid
tert-butyloxycarbonyltryptophantert-butyloxycarbonyltryptophan: RN given refers to (L)-isomerindolyl carboxylic acid
4-phenylbutylamine4-phenylbutylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group.

4-phenylbutylamine: used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase
benzenes;
phenylalkylamine;
primary amino compound
eriocitrineriocitrin : A disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

eriocitrin: structure in first source
3'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone
antioxidant
5-chloroindole5-chloroindole: a positive allosteric modulator of the 5-HT3 receptor
6-chloroindoleindoles
5-Chloro-1H-indole-2,3-dioneindolesanticoronaviral agent
5-iodoisatin5-iodoisatin: structure in first sourceindolesanticoronaviral agent
2,2-dimethoxy-2-phenylacetophenone
D-dopaD-dopa : The D-enantiomer of dopa.amino acid zwitterion;
D-tyrosine derivative;
dopa
mci 9038peptide
lopinaviramphetamines;
dicarboxylic acid diamide
anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
dehydropregnenolone acetatedehydropregnenolone acetate: structuresteroid ester
diprotin apeptide
osajinosajin: from Maclura pomiferaisoflavanones
anisoin
hydrobenzoinhydrobenzoin: structure in first sourceethanediol
8-mercaptoquinoline8-mercaptoquinoline: structure given in first source
isosteviolisosteviol: an antihyperglycemic agent; obtained by acid hydrolysis of stevioside; was indexed to steviol 1985-2007diterpenoid
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
n-benzyloxycarbonylphenylalanyl-valine
benzyloxycarbonyltryptophanbenzyloxycarbonyltryptophan: receptor antagonist for peptides from gastrin family; RN given refers to (L)-isomer
sivelestatsivelestat: inhibitor of neutrophil elastase; structure given in first sourceN-acylglycine;
pivalate ester
sepimostate mesilatesepimostate mesilate: used in therapy of pancreatitis; structure given in first source
territrem bterritrem B: tremorgenic mycotoxin from Aspergillus terreus; RN given refers to (4aR-(4aalpha,6abeta,12aalpha,12bbeta))-isomer
marimastatmarimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.

marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary
hydroxamic acid;
secondary carboxamide
antineoplastic agent;
matrix metalloproteinase inhibitor
gidazepamgidazepam: prodrug for 7-bromo-5-phenyl-1,2-dihydro-3H-1,4-benzodiazepine-2-one
l 658758L 658758: structure & chemical name given in UD
sr 27897SR 27897: structure given in first source; a CCK(A) receptor antagonistindolyl carboxylic acid
dx 9065
efegatranefegatran: RN & structure given in first source; RN given refers to parent cpd (D)-isomer
acetylphenylalanyl-prolyl-boroarginineAc-(D)Phe-Pro-boroArg-OH : A C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.

DuP-714 : A hydrochloride resulting from the formal reaction of equimolar amounts of Ac-(D)Phe-Pro-boroArg-OH and hydrogen chloride. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.
acetamides;
C-terminal boronic acid peptide;
guanidines
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
n-benzyloxycarbonylprolylprolinalN-benzyloxycarbonylprolylprolinal: inhibitor of prolyl endopeptidase
5-amidinoindole
1,3-indandione1,2-indanedione: use for detection of latent fingerprints on porous surfaces; structure in first source
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
4-amino-n-(2,6-dimethylphenyl)phthalimide4-amino-N-(2,6-dimethylphenyl)phthalimide: a potent anticonvulsant against maximal electroshock-induced seizures; structure given in first source
skullcapflavone iiscullcapflavone II : A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively.

skullcapflavone II: cytotoxic principle from Scutellariae radix; structure given in first source
dihydroxyflavone;
tetramethoxyflavone
anti-asthmatic drug;
plant metabolite
5-(4-piperidyl)isoxazol-3-ol5-(4-piperidyl)isoxazol-3-ol: structure given in first source; a partial agonist at the GABA-A receptor on cultured hippocampal neurones; antagonizes muscimol-stimulated benzodiazepine binding to rat cortical membranespiperidines
n-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amideN-carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide: fluorogenic substrate for post-proline cleaving enzyme
n(alpha)-tosyl-(3-amidinophenyl)alanine piperidideN(alpha)-(4-toluenesulfonyl)-3-amidinophenylalanylpiperidine: binds to thrombin & trypsin; structure given in first source
tertiary-butyloxycarbonyl-phenylalanyl-seryl-arginyl-4-methylcoumarin-7-amide
ono 3307ONO 3307: RN given refers to parent cpd; structure given in first source
n-(2-isobutyl-3-(n'-hydroxycarbonylamido)propanoyl)-o-methyltyrosinemethylamideN-(2-isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide: RN given refers to the (S-(R*,S*))-isomer
4-methyoxybenzoyl-n-glycineN-acylglycine
cyanidincyanidin cation : An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups.

cyanidin: RN given refers to parent cpd; structure
5-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
l 659286L 659286: structure given in first source; RN given from Toxlit 6/89
foy 2514-(4-guanidinobenzoyloxy)phenylacetic acid: RN given refers to monomethanesulfonate
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
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
n(alpha)-(4-toluenesulfonyl)-4-amidinophenylalanylpiperidineN(alpha)-(4-toluenesulfonyl)-4-amidinophenylalanylpiperidine: binds to thrombin & trypsin; structure given in first source
3-benzyl-6-chloro-2-pyrone3-benzyl-6-chloro-2-pyrone: structure given in first source
1,2-bis(5-amidino-2-benzimidazolyl)ethane1,2-bis(5-amidino-2-benzimidazolyl)ethane: RN given refers to parent cpd
2-(4-amidinophenyl)-1-benzofuran-5-carboxamidine2-(4-amidinophenyl)-1-benzofuran-5-carboxamidine: structure given in first source
n-dansyl-3-aminobenzeneboronic acidN-dansyl-3-aminobenzeneboronic acid: potent serine protease inhibitor; fluorescent boronic acid which reversibly binds to bacterial cell walls; structure given in first source
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
5-chlorooxindole5-chlorooxindole: structure in first source
l 738167L 738167: structure in first source
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
homonojirimycinhomonojirimycin: inhibits alpha-glucosidase; RN given for (2R-(2alpha,3alpha,4beta,5alpha,6beta))-isomer; structure in first source
bb3497BB3497: peptide deformylase inhibitor; structure in first source
4-guanidinobenzoate4-guanidinobenzoate: RN given refers to parent cpd

4-guanidinobenzoic acid : Benzoic acid substituted at the para position by a guanidino group.
benzoic acids;
guanidines
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
1-hydroxy-2-methylanthraquinone1-hydroxy-2-methyl-9,10-anthraquinone : A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.

1-hydroxy-2-methylanthraquinone: from root of Prismatomeris tetrandra
monohydroxyanthraquinoneplant metabolite
2-phenyl-4-oxohydroquinoline2-phenyl-4-oxohydroquinoline: structure given in first source
corydalminecorydalmine: antagonizes dopamine receptors; structure given in first source; RN given refers to (S)-isomer
tanshinone ii atashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first sourceabietane diterpenoid
2-phenyl-1,2-benzisothiazol-3-(2h)-one2-phenyl-1,2-benzisothiazol-3-(2H)-one: structure given in first source; sulfur analog of ebselen
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
n-valyltryptophanN-valyltryptophan: RN given refers to (L)-isomerpeptide
boswellic acidboswellic acid: ursane type; RN given refers to (3alpha,4beta)-isomer; active principle of salai guggal; see also record for salai guggaltriterpenoid
procyanidin C1procyanidin C1 : A proanthocyanidin consisting of three (-)-epicatechin units joined by two successive (4beta->8)-linkages.

procyanidin trimer C1: a flavonoid found in multiple plant sources including grape, apple, and cacao, which has antioxidant and anti-inflammatory properties
hydroxyflavan;
polyphenol;
proanthocyanidin
anti-inflammatory agent;
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
lipoxygenase inhibitor;
metabolite
carbobenzyloxyleucyl-tyrosine chloromethyl ketone
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
l 694,458DMP 777: structure given in first source
jtp 4819JTP 4819: a prolyl endopeptidase inhibitor; structure given in first source
melagatranazetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor
pefabloc
beta-naphthamidinebeta-naphthamidine: RN given refers to parent cpd
3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-2,6-pyrazinediamine3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-2,6-pyrazinediamine: amiloride prodrug; structure given in first source
3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)n-hydroxy-5-methylhexanamide3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide: structure in first source
7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin: RN & structure given in first source
razaxabanrazaxaban: structure in first source
1-(1-phenylcyclopentyl)methylaminecyclopentanes;
primary aliphatic amine
dabigatrandabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.

Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.
aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines
anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) inhibitor
ono 6818ONO 6818: structure in first source
nutlin 3stilbenoid
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
1-methylpropyl-2-imidazolyl disulfide1-methylpropyl-2-imidazolyl disulfide: a thioredoxin inhibitor with antineoplastic activityimidazoles
sitosterol, (3beta)-isomersitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.

Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol
anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
nsc13345NSC13345: structure in first sourceamidobenzoic acid
2-(4-aminophenyl)benzothiazole2-(4-aminophenyl)benzothiazole: an agent with selective profile of in vitro anti-tumour activity; structure in first source
5-Fluoroisatinindolesanticoronaviral agent
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
berbaminebisbenzylisoquinoline alkaloid;
isoquinolines
homoharringtonineHomoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.

omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia.
alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
2-(3-nitrophenyl)-3,1-benzoxazin-4-onebenzoxazine
2-oxindole2-oxindole: RN given refers to parent cpd; structure

indolin-2-one : An indolinone carrying an oxo group at position 2.
gamma-lactam;
indolinone
2-guanidine-4-methylquinazoline2-guanidine-4-methylquinazoline: structure given in first source
aromolinearomoline: from roots of Stephania cepharantha; structure given in first source
bortezomibamino acid amide;
L-phenylalanine derivative;
pyrazines
antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
4-2-Aminoethyl-morpholinemorpholines
naringenin(S)-naringenin : The (S)-enantiomer of naringenin.(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
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
n-acetyl-d-tryptophanD-tryptophan derivative;
N-acetyl-D-amino acid
N-malonylanthranilic aciddicarboxylic acid monoamide
obamegineobamegine: RN given refers to cpd without isomeric designationbisbenzylisoquinoline alkaloid;
isoquinolines
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
cyanidin 3-o-beta-d-glucopyranosidecyanidin 3-O-beta-D-glucoside : An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3.anthocyanin cation;
beta-D-glucoside;
monosaccharide derivative
metabolite
Pedunculaginpedunculagin: from the walnut (Juglans regia) pellicletannin
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
benzamidinecarboxamidinium ion
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
arachidonic acidarachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.

icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.
icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
palmitoleic acidhexadecenoate : A long-chain unsaturated fatty acid anion that is the conjugate base of hexadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.hexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
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
eicosapentaenoic acidall-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.

icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.
icosapentaenoic acid;
omega-3 fatty acid
anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
cgs 27023aCGS 27023A: a matrix metalloproteinase inhibitor
valine-pyrrolididevaline-pyrrolidide: structure given in first source
phenylalanyl-prolyl-arginineoligopeptide
gw 3965GW 3965: a liver X receptor liganddiarylmethane
t0901317T0901317: an LXRalpha and LXRbeta agonist
aclarubicinaclacinomycin A : An anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity.

Aclarubicin: An anthracycline produced by Streptomyces galilaeus. It has potent antineoplastic activity.
aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
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
prinomastatprinomastat : A hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14.

prinomastat: a diazepine-based hydroxamic acid inhibitor; matrix metalloproteinase (MMP) inhibitor; angiogenesis inhibitor;
aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines
antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor
Epigallocatechin 3,5-Digallatecatechin
6,8-diprenylgenistein5,7,4'-trihydroxy-6,8-diprenylisoflavone : A member of the class of 7-hydroxyisoflavones that is genistein substituted by prenyl groups at positions 6 and 8. It has been isolated from Derris scandens and Glycyrrhiza uralensis.

6,8-diprenylgenistein: a lysoPAF acetyltransferase inhibitor isolated from licorice root; structure in first source
7-hydroxyisoflavonesantibacterial agent;
plant metabolite
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamideindolecarboxamideanticoronaviral agent
sr 90107fondaparinux sodium : An organic sodium salt, being the decasodium salt of fondaparinux.
hirsutanonehirsutanone: from methanolic extract of the aerial parts of Viscum cruciatum (Viscaceae)diarylheptanoid
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
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
2-[(4-phenylphenyl)sulfonylamino]pentanedioic acidglutamic acid derivative
2-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-onepiperazines
N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamidepeptide
N-(3-dibenzofuranyl)-4-morpholinecarboxamidedibenzofurans
1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanonearomatic ketone
6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-oneether;
flavonoids
6,2',4'-trimethoxyflavone6,2',4'-trimethoxyflavone: structure in first source
caffeic acidtrans-caffeic acid : The trans-isomer of caffeic acid.caffeic acidgeroprotector;
mouse metabolite
n-acetyltryptophanN-acetyl-L-tryptophan : A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan.L-tryptophan derivative;
N-acetyl-L-amino acid
metabolite
(4-Methyl-2-oxochromen-7-yl) furan-2-carboxylatecoumarinsanticoronaviral agent
3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] estertrihydroxybenzoic acid
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamidearomatic amide;
furans
2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) estercarboxylic ester
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanonetriazoles
(3-amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanonebenzoic acids
thiothixeneN-methylpiperazineanticoronaviral agent
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
3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-methylbenzoic acidaromatic amide;
furans
(4-Methoxyphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methanonebenzodioxineanticoronaviral agent
2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenolsulfonamide
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamidesulfonamide
benztropinebenzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.

Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine.
diarylmethane
2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione: an antineoplastic agent; structure in first source
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamideanilide
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanonearomatic ether
N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamidequinolines
LSM-32435triazolopyrimidines
1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanonepiperazines
6-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-onebenzothiazoles
tosylarginine methyl esterTosylarginine Methyl Ester: Arginine derivative which is a substrate for many proteolytic enzymes. As a substrate for the esterase from the first component of complement, it inhibits the action of C(l) on C(4).guanidines;
L-arginine ester;
methyl ester;
sulfonamide
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneindoles
2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] esterdepsipeptide
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridinephenylpyridine
2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamidesulfonamide
3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl esterbenzamides
3-(methoxymethyl)-2-benzofurancarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl esterbenzofurans
meso-1,2-diphenylethylenediamine, (r-(r*,s*))-isomerdiphenylethylenediamine: structure in first source
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
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
4-thiouracil
2-(4-chlorophenyl)guanidineorganochlorine compound
3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dionemaleimides
2-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole(trifluoromethyl)benzenes
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioateacetylenic compound;
furans;
organofluorine compound;
thioester;
triazoles
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamidehydroxyquinoline
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxidearomatic ether
toremifeneToremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue.aromatic ether;
organochlorine compound;
tertiary amine
antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
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
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
darutigenoldarutigenol: from Siegesbeckia glabrescens Mak; structure given in first source
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
n-(n-(phenyl)butyryl-l-prolyl)pyrrolidineN-(N-(phenyl)butyryl-L-prolyl)pyrrolidine: inhibits prolyl endopeptidase; structure given in first source
7-amino-4-chloro-3-(3-isothiureidopropoxy)isocoumarin7-amino-4-chloro-3-(3-isothiureidopropoxy)isocoumarin: structure given in first source
bradykinin (1-5)bradykinin (1-5): a stable marker of bradykinin production in vivo; a metabolite of bradykinin degradation in plasma
wogonosidewogonin 7-O-beta-D-glucuronide : The glycosyloxyflavone which is the 7-O-glucuronide of wogonin.

wogonoside: from Scutellaria baicalensis; structure in first source
beta-D-glucosiduronic acid;
glycosyloxyflavone;
monohydroxyflavone;
monomethoxyflavone;
monosaccharide derivative
silybin
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamidearomatic amide;
furans
anticoronaviral agent
4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamideindoles
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamidebenzothiadiazole
1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamideisoquinolines
4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dionepiperazines;
pyridines
N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamidearomatic ketone
rs-130830RS-130830: orally-active broad-spectrum matrix metalloproteinase inhibitor
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(2-furanylmethyl)-2-pyridinecarboxamideorganonitrogen compound;
organooxygen compound
N-(2-methylphenyl)-1-phenazinecarboxamidephenazines
pnu 142372
pnu 107859
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
2-bromo-6-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-11-pyrido[2,1-b]quinazolinonepyridopyrimidine
5-Nitroisatinindolesanticoronaviral agent
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
sodium butyrateorganic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
ganhuangeninganhuangenin: flavonoid from Scutellaria rehderiana; lipid peroxide antagonist
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
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
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
linoleic acidlinoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.

Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed)
octadecadienoic acid;
omega-6 fatty acid
algal metabolite;
Daphnia galeata metabolite;
plant metabolite
8,11,14-eicosatrienoic acid8,11,14-Eicosatrienoic Acid: A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5.

all-cis-icosa-8,11,14-trienoic acid : An icosatrienoic acid having three cis double bonds at positions 8, 11 and 14.
fatty acid 20:3;
long-chain fatty acid
fungal metabolite;
human metabolite;
nutraceutical
quercetin 3-o-methyl ether3',4',5,7-tetrahydroxy-3-methoxyflavone : A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position.

quercetin 3-O-methyl ether: from Rhamnus species; structure in first source
monomethoxyflavone;
tetrahydroxyflavone
antimicrobial agent;
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
gamma-linolenic acidgamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12.

gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed)
linolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
alpha-linolenic acidlinolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.

linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.
linolenic acid;
omega-3 fatty acid
micronutrient;
mouse metabolite;
nutraceutical
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
clavulanic acidclavulanate : The conjugate base of clavulanic acid.

clavulanic acid : Antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes.

Clavulanic Acid: A beta-lactam antibiotic produced by the actinobacterium Streptomyces clavuligerus. It is a suicide inhibitor of bacterial beta-lactamase enzymes. Administered alone, it has only weak antibacterial activity against most organisms, but given in combination with other beta-lactam antibiotics it prevents antibiotic inactivation by microbial lactamase.
oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
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
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
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
mangiferinshamimin: isolated from the leaves of Bombax ceiba; structure in first sourceC-glycosyl compound;
xanthones
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite
norathyriolnorathyriol : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C.

norathyriol: from Gentinanaceae; has vasorelaxing action on rat thoracic aorta; structure given in first source
polyphenol;
xanthones
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant 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
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
robustaflavonerobustaflavone : A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-6 of the chromene ring. Isolated from Thuja orientalis and Rhus succedanea it exhibits antioxidant, cytotoxic and anti-hepatitis B activity.

robustaflavone: bis-apigenin coupled at 6 and 3' positions; a potential non-nucleoside anti-hepatitis B agent;
biflavonoid;
hydroxyflavone;
ring assembly
anti-HBV agent;
antineoplastic agent;
antioxidant;
metabolite
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
trans-2,3',4,5'-tetrahydroxystilbenetrans-2,3',4,5'-tetrahydroxystilbene: hydroxystilbene oxyresveratrolstilbenoid
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
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
ginkgolic acidhydroxybenzoic acid
savininsavinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2.

savinin: a lignan from Pterocarpus santalinus inhibits tumor necrosis factor-alpha production and T cell proliferation; structure in first source
benzodioxoles;
gamma-lactone;
lignan
anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor
dothiepin hydrochlorideDothiepin: A tricyclic antidepressant with some tranquilizing action.dothiepin
fondaparinuxfondaparinux : A synthetic pentasaccharide which, apart from the O-methyl group at the reducing end of the molecule, consists of monomeric sugar units which are identical to a sequence of five monomeric sugar units that can be isolated after either chemical or enzymatic cleavage of the polymeric glycosaminoglycans heparin and heparan sulfate.

Fondaparinux: Synthetic pentasaccharide that mediates the interaction of HEPARIN with ANTITHROMBINS and inhibits FACTOR Xa; it is used for prevention of VENOUS THROMBOEMBOLISM after surgery.
amino sugar;
oligosaccharide sulfate;
pentasaccharide derivative
anticoagulant
camostat mesylatemethanesulfonate saltanti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
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
cyclotheonamide acyclotheonamide A: a cyclic peptide isolated from the marine sponge Theonella; structure given in first source
geldanamycin1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound
antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
tmi-1
rutinquercetin-3-O-rutinoside: structure in first sourceflavonoids;
glycoside
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone1,3-oxazoles
benzyloxycarbonyl-phe-ala-fluormethylketonecathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
phenylalanyl-prolyl-arginine methyl chloridephenylalanyl-prolyl-arginine methyl chloride: selective affinity label for thrombin; RN given refers to parent (L-Pro-D-Phe-(S))-isomer
sb 258719
sb 271046SB 271046: 5-HT(6) receptor antagonist; structure in first source
11,14,17-eicosatrienoateall-cis-icosa-11,14,17-trienoic acid : An icosatrienoic acid having three cis- double bonds at positions 11, 14 and 17.fatty acid 20:3;
omega-3 fatty acid
bilobetinbilobetin: a phospholipase A2 antagonistflavonoid oligomer
hydroxygenkwaninhydroxygenkwanin: isolated from leaves of Daphne genkwaether;
flavonoids
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix

oroxylin A : 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-6.
dihydroxyflavone;
monomethoxyflavone
antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
guttiferone aguttiferone A: antibacterial from Clusiaceae family; structure in first source
auriculasinauriculasin: isolated from the fruits of Maclura pomifera; structure in first sourceisoflavanones
batimastatbatimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.

batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide
angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
11-hydroxynoracronycine11-hydroxynoracronycine: analog of acronycine from wood of Atalantia ceylanica; structureacridinesmetabolite
3,7-dihydroxyflavone3,7-dihydroxyflavone: structure in first source

7-hydroxyflavonol : Any flavonol carrying a 7-hydroxy substituent.
hydroxyflavan
enalaprilat anhydrousenalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate.

enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection.

Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion.
dicarboxylic acid;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
paepalantinepaepalantine: an isocoumarin from Paepalanthus vellozioides; structure given in first source
pepstatinpepstatin: inhibits the aspartic protease endothiapepsinpentapeptide;
secondary carboxamide
bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
ximelagatranximelagatran : A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.

ximelagatran: prodrug (via hydroxylation) of melagatran & a direct thrombin inhibitor; liver toxicity concerns so AZD0837 being developed to replace this
amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide
anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
citrusinine icitrusinine I: acridone alkaloid isolated from Rutaceaeacridines
otamixabanotamixaban: structure in first source
gi 129471GI 129471: metalloprotease inhibitor that blocks TNF-alpha secretion; structure given in first source
broussochalcone abroussochalcone A: RN given for (E)-isomer; inhibits neutrophil respiratory burst; structure in first source
eicosa-11,14-dienoic acid, (z,z)-isomer(11Z,14Z)-icosadienoic acid : An icosadienoic acid with double bonds at positions 11 and 14 (both Z).

icosadienoic acid : A 20-carbon, polyunsaturated fatty acid having two double bonds at unspecified positions.
icosadienoic acidmetabolite
rupintrivirrupintrivir: a rhinovirus 3C protease inhibitor
1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]ureaureas
isoacteosideisoacteoside: a phenylethanoid glycoside isolated from Indian paintbrush (Verbenaceae) Castilleja linariaefolia; also in other plants; structure given in first sourcehydroxycinnamic acid
Methyl rosmarinatehydroxycinnamic acid
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
gabexate methanesulfonatebenzoate ester;
guanidines;
methanesulfonate salt
N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamideanilide
ik 682IK 682: inhibits TNF-alpha converting enzyme; structure in first sourcehydroxamic acid;
pyrrolidin-2-ones;
quinolines
bms 7408081-(3-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-6-(2'-(3-hydroxy-N-pyrrolidinyl)methyl-(1,1')-biphen-4-yl)-1,4,5,6-tetrahydropyrazolo-(3,4-c)-pyridin-7-one: structure in first source
stepholidinestepholidine: protoberberine alkaloid isolated from opium; dual D1 receptor agonist and D2 receptor antagonist
napsagatrannapsagatran: 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
bay 12-9566Bay 12-9566: an angiogenesis inhibitor with matrix metalloproteinase inhibitory activitybiphenyls;
organochlorine compound
vildagliptinamino acid amide
talabostattalabostat: an antineoplastic agent; structure in first source
relacatibrelacatib: a cathepsin K inhibitor; structure in first source
meso-1,2-diphenylethylenediaminemeso-1,2-diphenylethylenediamine: structure
5-Chloro-3-pyridinyl 2-furoatecarboxylic esteranticoronaviral agent
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
n,n-(4-xylylidene)bisaminoguanidineN,N-(4-xylylidene)bisaminoguanidine: RN in Chemline for di-HCl: 7044-24-8; RN for unspecified HCl: 62580-72-7

N,N'-(p-xylylidene)bis(aminoguanidine) : A guanidine derivative comprised of two carbamimidamido (guanidino) groups, each linked via one of their amino nitrogens to the imino nitrogens of 1,4-phenylenedimethanimine.
glyoxal bis(guanylhydrazone)glyoxal bis(guanylhydrazone): RN given refers to parent cpd
sulphostinsulphostin: isolated from Streptomyces; structure in first source
nvp-dpp728
b 4284-iodine-benzo(b)thiophene-2-carboxamidine: structure in first source
bms-262084BMS-262084: an azetidinone-based tryptase inhibitor; structure in first source
epigallocatechin-3-o-(3''-o-methyl)-gallatecatechin
ym 60828YM 60828: YM-466 is the mesylate salt
rwj 68354
ca 074
(11c)cgs 25966
bb-78485BB-78485: structure in first source
sb 223245
ro 32-3555Ro 32-3555: structure given in first source
ro 28-2653Ro 28-2653: a synthetic matrix metalloproteinase inhibitor reduces tumor growth and prolongs survival in a prostate cancer standard rat model
11-keto-boswellic acid
a-705253A-705253: structure in first source
upamostat
abt-770ABT-770: structure in first source
rivaroxabanrivaroxaban : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.

Rivaroxaban: A morpholine and thiophene derivative that functions as a FACTOR XA INHIBITOR and is used in the treatment and prevention of DEEP-VEIN THROMBOSIS and PULMONARY EMBOLISM. It is also used for the prevention of STROKE and systemic embolization in patients with non-valvular ATRIAL FIBRILLATION, and for the prevention of atherothrombotic events in patients after an ACUTE CORONARY SYNDROME.
aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
sb 3ct compoundSB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first sourcearomatic ether
uk-356,202UK-356,202: structure in first source
pd 166793
sc 78080
n-alpha-(2,4,6-triisopropyl-phenylsulfonyl)-3-amidino-(l)-phenyl-alanine-4-ethoxycarbonyl-piperazide hydrochloride
dpc 423
ro 31-9790Ro 31-9790: hydroxamic acid derivative
zd 8321ZD 8321: inhibits human leukocyte elastase; structure in first source
gw 813893
l 374087
l 006235
darexaban
l-873724L-873724: a selective inhibitor of cathepsin K; structure in first source
lb 30057
n-((2s)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3- dimethyl-l-valinamideN-((2S)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3- dimethyl-L-Valinamide: matrix metalloproteinase inhibitor
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acidbiphenyls;
organobromine compound
(2s,3as,7as)-1-(((r,r)-2-phenylcyclopropyl)carbonyl)-2-((thiazolidin-3-yl)carbonyl)octahydro-1h-indoleS 17092-1: structure in first source; inhibits proline endopeptidase
ly517717LY517717: an oral anticoagulant
pp-33
arp-100
kb r8301
eclalbasaponin ieclalbasaponin I: has antineoplastic activity; isolated from Eclipta prostrata; structure in first source
ageladine aageladine A : An imidazopyridine that is 1H-imidazo[4,5-c]pyridin-2-amine substituted by a 4,5-dibromo-1H-pyrrol-2-yl group at position 4. It is an alkaloid isolated from a marine sponge Agelas nakamurai and acts as an inhibitor of the matrix metalloproteinases, the key enzymes involved in tumour growth, migration, angiogenesis, invasion and metastasis.

Ageladine A: an antiangiogenic matrixmetalloproteinase inhibitor from the marine sponge Agelas nakamurai; structure in first source
alkaloid;
aromatic amine;
imidazopyridine;
organobromine compound;
pyrroles
angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor;
metabolite
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
alanylpyrrolidine-boronic acid
odanacatibodanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source
darexaban glucuronidedarexaban glucuronide: structure in first source
apixabanaromatic ether;
lactam;
piperidones;
pyrazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
a-317567A-317567: acid sensing ion channel blocker; structure in first source
balicatibbalicatib: cathepsin K inhibitor
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
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
edoxabanedoxaban : A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation 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
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
ko 143beta-carbolines;
tert-butyl ester
rpr 120844
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
(z,z)-babch
m-chlorophenylguanidine
anabaenopeptin banabaenopeptin B: from cyanobacteria Planktothrix (Oscillatoria) rubescens
mdl 101146MDL 101146: orally active inhibitor of neutrophil elastase; structure in first source
dysinosin adysinosin A: structure in first source
3-o-methylfunicone3-O-methylfunicone: derived from Penicillium pinophilum; structure in first source
sclerotiamidesclerotiamide: related to the paraherquamides; isolated from the sclerotia of Aspergillus sclerotiorum; structure given in first source
s 3304S 3304: structure in first source
2-(4-methoxyphenyl)-1,2-benzothiazol-3-onebenzothiazoles
a26771bA26771B: produced by Penicillium turbatum; structure
acetyl-11-ketoboswellic acidacetyl-11-ketoboswellic acid: a 5-lipoxygenase inhibitor; structure given in first sourcetriterpenoid
kyp 2047
calpain inhibitor iiicalpain inhibitor III: potential anticataract drug
2-(4-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
epoxomicinmorpholines;
tripeptide
proteasome inhibitor
uamc00039UAMC00039: dipeptidyl peptidase II inhibitor; structure in first source
bms 477118adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
dutogliptin
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
bms-566394BMS-566394: structure in first source
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
ks370gKS370G: antihyperglycemic; structure in first source
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
apratastatapratastat: structure in first sourcesulfonamide
gosogliptinamino acid amide
carfilzomibepoxide;
morpholines;
tetrapeptide
antineoplastic agent;
proteasome 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
incb3619INCB3619: ADAM inhibitor; structure in first source
pd 0348292eribaxaban : A member of the class of pyrrolidines that is (2R,4R)-N(1)-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade.

N-(4-chlorophenyl)-N-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidiine-1,2-dicarboxamide: structure in first source
monochlorobenzenes;
monofluorobenzenes;
pyridone;
pyrrolidines;
secondary carboxamide;
ureas
anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
serine protease inhibitor
2-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione2-(2,6-diisopropylphenyl)-5-hydroxy-1H-isoindole-1,3-dione: structure in first source
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine: structure in first source

halicin : A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties.
1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles
antibacterial agent;
c-Jun N-terminal kinase inhibitor
teneligliptinamino acid amide
oleanonic acidoleanonic acid: structure in first source
2-(3-chlorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
tosedostatcarboxylic ester;
hydroxamic acid;
secondary carboxamide
kirenolkirenol: an antirheumatic agent isolated from Siegebeckia; structure in first sourcediterpenoid
mdv 3100(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound
androgen antagonist;
antineoplastic agent
Benzotriazol-1-yl 1H-indole-5-carboxylateindolyl carboxylic acidanticoronaviral agent
trelagliptintrelagliptin: a dipeptidyl peptidase IV inhibitorbenzenes;
nitrile
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylatecarboxylic esteranticoronaviral agent
(5-Chloropyridin-3-yl) 1H-indole-5-carboxylateindolyl carboxylic acidanticoronaviral agent
5-Chloropyridin-3-yl 1H-indole-2-carboxylateindolyl carboxylic acidanticoronaviral agent
archazolid aarchazolid A: inhibits vacuolar-type ATPase; isolated from Archangium gephyra; structure in first source
archazolid barchazolid B: structure in first sourcemacrolide
alendronate sodium
dihydroisostevioldihydroisosteviol: isolated from Stevia rebaudiana; structure in first source
5-fluoro-2-phenyl-1,2-benzothiazol-3-onebenzothiazoles
2-(2-fluorophenyl)-1,2-benzothiazol-3-onebenzothiazoles
lyngbyastatin 7lyngbyastatin 7: potent elastase inhibitor from Floridian marine cyanobacteria, Lyngbya spp.; structure in first source
pf-429242PF-429242: a subtilisin kexin isozyme-1/site-1 protease inhibitor
beta-Elemonic acidbeta-elemonic acid: extracted from Boswellia carteriitriterpenoid
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
delanzomibC-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative
antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
simeprevirazamacrocycle;
lactam
GRL-0617GRL-0617 : A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline
anticoronaviral agent;
protease inhibitor
compstatincompstatin: binds to complement 3; amino acid sequence in first source
vel-0230VEL-0230: a cathepsin K antagonist
(5-Chloropyridin-3-yl) 1H-indole-4-carboxylateindolyl carboxylic acidanticoronaviral agent
gallinamide agallinamide A: antimalarial peptide from marine cyanobacteria
bi 201335faldaprevir: inhibits hepatitis C virus NS3 protease
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile6-aminopurines
6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)-2-purinecarbonitrile6-aminopurines
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrileimidazoles
KOM70144KOM70144 : A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively).acetamides;
benzamides;
naphthalenes;
secondary carboxamide
anticoronaviral agent;
protease inhibitor
e-52862
grassystatin agrassystatin A: isolated from a cyanobacterium, identified as Lyngbya cf.; structure in first source
(4-(n-hydroxyamino)-2r-isobutyl-3s-methylsuccinyl)-l-phenylglycine-n-methylamideKB R7785: structure in first source
no. 407No. 407: RN in Chemline for preparation 407: 60267-56-3; structure in first source
anagliptinanagliptin: anagliptin hydrochloride salt is the active compoundamino acid amide
e-6-o-p-coumaroyl scandoside methyl esterE-6-O-p-coumaroyl scandoside methyl ester: structure in first source
2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenylacetamidebenzothiazoles
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
mk-3102pyrrolopyrazole
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamideN-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide: structure in first source
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamidearomatic amide;
furans
arylomycin a-c16
4-hydroxy-6-methyl-2-pyrone4-hydroxy-6-methyl-2-pyrone: structure in first source2-pyranones
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.
minocyclineminocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.

Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.
dicumarolDicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
warfarin4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.

warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.

Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.
benzenes;
hydroxycoumarin;
methyl ketone
elasninelasnin: elastase inhibitor isolated from Streptomyces noboritoensis
rpx7009RPX7009: a beta-lactamase inhibitor; structure in first source
ly3000328LY3000328: a cathepsin S inhibitor
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
sulfated pentagalloylglucosidesulfated pentagalloylglucoside: structure in first source
onc201TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source
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
cycloviolacin o2
s 8932aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine
anticoronaviral agent;
antiviral drug;
prodrug
guanosine diphosphateGuanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety.guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
dacarbazine(E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.dacarbazine
nn 414NN 414: a hypoglycemic agent with insulin release modulating and potassium channel activating activities; structure in first source
2-[(4-chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-onearyl sulfide
MMP-9-IN-1MMP-9-IN-1 : A secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor.aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide
antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor
N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamidebenzimidazoles
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
2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-onemethoxybenzenes
pycnidionepycnidione: potentiator of bleomycin; isolated from Gloeotinia; structure in first source
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
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl esterbenzoate ester
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
molnupiravirmolnupiravir : A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19.

molnupiravir: prodrug that’s metabolized into N4-hydroxycytidine (NHC), a ribonucleoside analog
isopropyl ester;
ketoxime;
nucleoside analogue
anticoronaviral agent;
antiviral drug;
prodrug
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide : 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-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM).aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor