Target type: biologicalprocess
The process in which a signal is passed on to downstream components within the cell, which become activated themselves to further propagate the signal and finally trigger a change in the function or state of the cell. [GOC:bf, GOC:jl, GOC:signaling, ISBN:3527303782]
Intracellular signal transduction is a complex process by which cells receive and respond to signals from their environment. These signals can be chemical, physical, or mechanical, and they can originate from other cells, the extracellular matrix, or the cell's own internal environment. When a signal is received by a cell, it is converted into a form that can be understood and acted upon by the cell's machinery. This process is called signal transduction, and it involves a series of steps that ultimately lead to a cellular response.
The first step in signal transduction is the binding of the signal molecule, or ligand, to a specific receptor protein on the cell surface or within the cell. This binding event triggers a conformational change in the receptor protein, which in turn activates a cascade of intracellular signaling events. These events can involve the activation of protein kinases, which phosphorylate other proteins, or the production of second messengers, such as cyclic AMP or calcium ions, which can diffuse throughout the cell and activate other signaling molecules.
The signal is then relayed through a series of intracellular signaling proteins, which interact with each other in a specific order to amplify, integrate, and distribute the signal. This signaling pathway can involve a variety of different proteins, including kinases, phosphatases, GTPases, and adaptor proteins. The specific proteins involved in a particular signaling pathway will vary depending on the type of signal, the cell type, and the cellular response that is being triggered.
Ultimately, the signal transduction pathway will culminate in a specific cellular response. This response can be as simple as a change in gene expression or as complex as the initiation of cell division, differentiation, or death. The cellular response is determined by the specific proteins that are activated or inhibited by the signaling pathway, as well as the downstream pathways that are triggered.
Intracellular signal transduction is essential for the proper functioning of all cells. It allows cells to communicate with each other, respond to changes in their environment, and maintain homeostasis. Defects in signal transduction pathways can lead to a wide variety of diseases, including cancer, diabetes, and autoimmune disorders.
Signal transduction pathways are highly regulated and dynamic, and they can be modified by a variety of factors, including hormones, growth factors, and environmental stimuli. The ability of cells to respond to signals from their environment is essential for their survival and function, and it is one of the most fundamental processes in biology.'
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Protein | Definition | Taxonomy |
---|---|---|
Serine/threonine-protein kinase Sgk1 | A serine/threonine-protein kinase Sgk1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00141] | Homo sapiens (human) |
Mitogen-activated protein kinase 12 | A mitogen-activated protein kinase 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53778] | Homo sapiens (human) |
Serine/threonine-protein kinase PAK 4 | A serine/threonine-protein kinase PAK 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O96013] | Homo sapiens (human) |
Protein kinase C beta type | A protein kinase C beta type that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05771] | Homo sapiens (human) |
Serine/threonine-protein kinase PAK 5 | A serine/threonine-protein kinase PAK 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9P286] | Homo sapiens (human) |
Calcium/calmodulin-dependent protein kinase type IV | A calcium/calmodulin-dependent protein kinase type IV that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16566] | Homo sapiens (human) |
Interleukin-1 receptor-associated kinase 4 | An interleukin-1 receptor-associated kinase 4 that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
Mitogen-activated protein kinase 3 | A mitogen-activated protein kinase 3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P27361] | Homo sapiens (human) |
RAC-alpha serine/threonine-protein kinase | A RAC-alpha serine/threonine-protein kinase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P31749] | Homo sapiens (human) |
Protein kinase C zeta type | A protein kinase C zeta type that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05513] | Homo sapiens (human) |
Serine/threonine-protein kinase N2 | A serine/threonine-protein kinase N2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16513] | Homo sapiens (human) |
Mitogen-activated protein kinase 13 | A mitogen-activated protein kinase 13 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15264] | Homo sapiens (human) |
Interleukin-1 receptor-associated kinase 3 | An interleukin-1 receptor-associated kinase 3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9Y616] | Homo sapiens (human) |
MAP/microtubule affinity-regulating kinase 3 | A MAP/microtubule affinity-regulating kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P27448] | Homo sapiens (human) |
Diacylglycerol kinase alpha | A diacylglycerol kinase alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23743] | Homo sapiens (human) |
Calcium/calmodulin-dependent protein kinase kinase 1 | A calcium/calmodulin-dependent protein kinase kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N5S9] | Homo sapiens (human) |
PAS domain-containing serine/threonine-protein kinase | A PAS domain-containing serine/threonine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96RG2] | Homo sapiens (human) |
Serine/threonine-protein kinase PAK 2 | A serine/threonine-protein kinase PAK 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13177] | Homo sapiens (human) |
MAP kinase-activated protein kinase 2 | A MAP kinase-activated protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49137] | Homo sapiens (human) |
Serine/threonine-protein kinase Sgk3 | A serine/threonine-protein kinase Sgk3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96BR1] | Homo sapiens (human) |
Interleukin-1 receptor-associated kinase 1 | An interleukin-1 receptor-associated kinase 1 that is encoded in the genome of human. [PRO:CNA] | Homo sapiens (human) |
Hormonally up-regulated neu tumor-associated kinase | A hormonally up-regulated neu tumor-associated kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P57058] | Homo sapiens (human) |
RAC-beta serine/threonine-protein kinase | A RAC-beta serine/threonine-protein kinase that is encoded in the genome of human. [PRO:CNA, UniProtKB:P31751] | Homo sapiens (human) |
Serine/threonine-protein kinase Sgk2 | A serine/threonine-protein kinase Sgk2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HBY8] | Homo sapiens (human) |
Mitogen-activated protein kinase 4 | A mitogen-activated protein kinase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31152] | Homo sapiens (human) |
Protein kinase C eta type | A protein kinase C eta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:P24723] | Homo sapiens (human) |
SRSF protein kinase 3 | An SRSF protein kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UPE1] | Homo sapiens (human) |
Tyrosine-protein phosphatase non-receptor type 6 | A tyrosine-protein phosphatase non-receptor type 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29350] | Homo sapiens (human) |
Serine/threonine-protein kinase SIK3 | A serine/threonine-protein kinase QSK that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2K2] | Homo sapiens (human) |
Protein kinase C epsilon type | A protein kinase C epsilon that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q02156] | Homo sapiens (human) |
Serine/threonine-protein kinase 32C | A serine/threonine-protein kinase 32C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UX6] | Homo sapiens (human) |
Protein kinase C alpha type | A protein kinase C alpha type that is encoded in the genome of human. [PRO:CL, UniProtKB:P17252] | Homo sapiens (human) |
Mitogen-activated protein kinase 7 | A mitogen-activated protein kinase 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13164] | Homo sapiens (human) |
Serine/threonine-protein kinase N3 | A serine/threonine-protein kinase N3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q6P5Z2] | Homo sapiens (human) |
3-phosphoinositide-dependent protein kinase 1 | A 3-phosphoinositide-dependent protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15530] | Homo sapiens (human) |
Serine/threonine-protein kinase MAK | A serine/threonine-protein kinase MAK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20794] | Homo sapiens (human) |
Mitogen-activated protein kinase 6 | A mitogen-activated protein kinase 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16659] | Homo sapiens (human) |
Mitogen-activated protein kinase 1 | A mitogen-activated protein kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P28482] | Homo sapiens (human) |
Serine/threonine-protein kinase PAK 6 | A serine/threonine-protein kinase PAK 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NQU5] | Homo sapiens (human) |
Serine/threonine-protein kinase N1 | A serine/threonine-protein kinase N1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16512] | Homo sapiens (human) |
Protein kinase C delta type | A protein kinase C delta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q05655] | Homo sapiens (human) |
Protein kinase C iota type | A protein kinase C iota type that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41743] | Homo sapiens (human) |
Mitogen-activated protein kinase 11 | A mitogen-activated protein kinase 11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15759] | Homo sapiens (human) |
MAP kinase-activated protein kinase 3 | A MAP kinase-activated protein kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16644] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase kinase 1 | A mitogen-activated protein kinase kinase kinase kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92918] | Homo sapiens (human) |
Serine/threonine-protein kinase 32B | A serine/threonine-protein kinase 32B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY57] | Homo sapiens (human) |
Mitogen-activated protein kinase 15 | A mitogen-activated protein kinase 15 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TD08] | Homo sapiens (human) |
MAP/microtubule affinity-regulating kinase 4 | A MAP/microtubule affinity-regulating kinase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96L34] | Homo sapiens (human) |
Tyrosine-protein kinase JAK1 | A tyrosine-protein kinase JAK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23458] | Homo sapiens (human) |
Protein kinase C gamma type | A protein kinase C gamma type that is encoded in the genome of human. [PRO:CNA, UniProtKB:P05129] | Homo sapiens (human) |
Serine/threonine-protein kinase D3 | A serine/threonine-protein kinase D3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94806] | Homo sapiens (human) |
RAC-gamma serine/threonine-protein kinase | A RAC-gamma serine/threonine-protein kinase that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9Y243] | Homo sapiens (human) |
Serine/threonine-protein kinase PAK 3 | A serine/threonine-protein kinase PAK 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75914] | Homo sapiens (human) |
Serine/threonine-protein kinase 32A | A serine/threonine-protein kinase 32A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WU08] | Homo sapiens (human) |
Non-receptor tyrosine-protein kinase TYK2 | A non-receptor tyrosine-protein kinase TYK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29597] | Homo sapiens (human) |
Serine/threonine-protein kinase PAK 1 | A serine/threonine-protein kinase PAK 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13153] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase 4 | A mitogen-activated protein kinase kinase kinase 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y6R4] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase kinase 5 | A mitogen-activated protein kinase kinase kinase kinase 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y4K4] | Homo sapiens (human) |
Serine/threonine-protein kinase WNK2 | A serine/threonine-protein kinase WNK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y3S1] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase 2 | A mitogen-activated protein kinase kinase kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2U5] | Homo sapiens (human) |
1-phosphatidylinositol 3-phosphate 5-kinase | A 1-phosphatidylinositol 3-phosphate 5-kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2I7] | Homo sapiens (human) |
Microtubule-associated serine/threonine-protein kinase 1 | A microtubule-associated serine/threonine-protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2H9] | Homo sapiens (human) |
Serine/threonine-protein kinase 38-like | A serine/threonine-protein kinase 38-like that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y2H1] | Homo sapiens (human) |
Nucleotide-binding oligomerization domain-containing protein 1 | A nucleotide-binding oligomerization domain-containing protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y239] | Homo sapiens (human) |
Serine/threonine-protein kinase ICK | A serine/threonine-protein kinase ICK that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UPZ9] | Homo sapiens (human) |
Cytosolic phospholipase A2 gamma | A cytosolic phospholipase A2 gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UP65] | Homo sapiens (human) |
Serine/threonine-protein kinase tousled-like 1 | A serine/threonine-protein kinase tousled-like 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKI8] | Homo sapiens (human) |
TRAF2 and NCK-interacting protein kinase | A TRAF2 and NCK-interacting protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKE5] | Homo sapiens (human) |
Death-associated protein kinase 2 | A death-associated protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UIK4] | Homo sapiens (human) |
5'-AMP-activated protein kinase subunit gamma-2 | A 5-AMP-activated protein kinase subunit gamma-2 that is encoded in the genome of human. [PRO:CNx, Reactome:R-HSA-164130] | Homo sapiens (human) |
5'-AMP-activated protein kinase subunit gamma-3 | A 5-AMP-activated protein kinase subunit gamma-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UGI9] | Homo sapiens (human) |
STE20/SPS1-related proline-alanine-rich protein kinase | A STE20/SPS1-related proline-alanine-rich protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UEW8] | Homo sapiens (human) |
Serine/threonine-protein kinase 17A | A serine/threonine-protein kinase 17A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UEE5] | Homo sapiens (human) |
Serine/threonine-protein kinase NLK | A serine/threonine-protein kinase NLK that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBE8] | Homo sapiens (human) |
Serine/threonine-protein kinase 26 | A serine/threonine-protein kinase 26 that is encoded in the genome of human. [PRO:WCB] | Homo sapiens (human) |
Serine/threonine-protein kinase MARK1 | A serine/threonine-protein kinase MARK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9P0L2] | Homo sapiens (human) |
Sphingosine kinase 1 | A sphingosine kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NYA1] | Homo sapiens (human) |
Serine/threonine-protein kinase LATS2 | A serine/threonine-protein kinase LATS2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRM7] | Homo sapiens (human) |
CD209 antigen | A CD209 molecule that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9NNX6] | Homo sapiens (human) |
Nucleotide-binding oligomerization domain-containing protein 2 | A nucleotide-binding oligomerization domain-containing protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HC29] | Homo sapiens (human) |
MAP kinase-interacting serine/threonine-protein kinase 2 | A MAP kinase-interacting serine/threonine-protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9HBH9] | Homo sapiens (human) |
Serine/threonine-protein kinase WNK1 | A serine/threonine-protein kinase WNK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H4A3] | Homo sapiens (human) |
C-type lectin domain family 4 member M | A C-type lectin domain family 4 member M that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q9H2X3] | Homo sapiens (human) |
Serine/threonine-protein kinase SIK2 | A serine/threonine-protein kinase SIK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H0K1] | Homo sapiens (human) |
Serine/threonine-protein kinase D2 | A serine/threonine-protein kinase D2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BZL6] | Homo sapiens (human) |
Serine/threonine-protein kinase WNK3 | A serine/threonine-protein kinase WNK3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BYP7] | Homo sapiens (human) |
MAP kinase-interacting serine/threonine-protein kinase 1 | A MAP kinase-interacting serine/threonine-protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BUB5] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase 3 | A mitogen-activated protein kinase kinase kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99759] | Homo sapiens (human) |
SRSF protein kinase 1 | An SRSF protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96SB4] | Homo sapiens (human) |
Adenylate cyclase type 10 | An adenylate cyclase type 10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96PN6] | Homo sapiens (human) |
Nuclear receptor subfamily 4 group A member 3 | A nuclear receptor subfamily 4 group A member 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q92570] | Homo sapiens (human) |
Serine/threonine-protein kinase haspin | A serine/threonine-protein kinase haspin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8TF76] | Homo sapiens (human) |
Serine/threonine-protein kinase Nek11 | A serine/threonine-protein kinase Nek11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NG66] | Homo sapiens (human) |
Adenylate cyclase type 4 | An adenylate cyclase type 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8NFM4] | Homo sapiens (human) |
Serine/threonine-protein kinase DCLK2 | A serine/threonine-protein kinase DCLK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N568] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase kinase 3 | A mitogen-activated protein kinase kinase kinase kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IVH8] | Homo sapiens (human) |
Serine/threonine-protein kinase tousled-like 2 | A serine/threonine-protein kinase tousled-like 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UE8] | Homo sapiens (human) |
Serine/threonine-protein kinase MARK2 | A serine/threonine-protein kinase MARK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7KZI7] | Homo sapiens (human) |
Disabled homolog 2-interacting protein | A disabled homolog 2-interacting protein that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q5VWQ8] | Homo sapiens (human) |
Leucine-rich repeat serine/threonine-protein kinase 2 | A leucine-rich repeat serine/threonine-protein kinase 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q5S007] | Homo sapiens (human) |
Mitogen-activated protein kinase 14 | A mitogen-activated protein kinase 14 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q16539] | Homo sapiens (human) |
Ribosomal protein S6 kinase alpha-1 | A ribosomal protein S6 kinase alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15418] | Homo sapiens (human) |
Ribosomal protein S6 kinase alpha-2 | A ribosomal protein S6 kinase alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15349] | Homo sapiens (human) |
Serine/threonine-protein kinase 38 | A serine/threonine-protein kinase 38 that is encoded in the genome of human. [PRO:KER] | Homo sapiens (human) |
Serine/threonine-protein kinase D1 | A serine/threonine-protein kinase D1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15139] | Homo sapiens (human) |
Calcium/calmodulin-dependent protein kinase type 1 | A calcium/calmodulin-dependent protein kinase type 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14012] | Homo sapiens (human) |
Receptor-interacting serine/threonine-protein kinase 1 | A receptor-interacting serine/threonine-protein kinase 1 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Serine/threonine-protein kinase 3 | A serine/threonine-protein kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13188] | Homo sapiens (human) |
Serine/threonine-protein kinase 4 | A serine/threonine-protein kinase 4 that is encoded in the genome of human. [PMID:20171103, PRO:KER] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase 12 | A mitogen-activated protein kinase kinase kinase 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12852] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase kinase 2 | A mitogen-activated protein kinase kinase kinase kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12851] | Homo sapiens (human) |
Tyrosine-protein kinase ITK/TSK | A tyrosine-protein kinase ITK/TSK that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q08881] | Homo sapiens (human) |
Tyrosine-protein kinase BTK | A tyrosine-protein kinase BTK that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q06187] | Homo sapiens (human) |
Protein kinase C theta type | A protein kinase C theta type that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q04759] | Homo sapiens (human) |
Transcription factor p65 | A transcription factor p65 that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Melanocyte-stimulating hormone receptor | A melanocyte-stimulating hormone receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q01726] | Homo sapiens (human) |
SRSF protein kinase 2 | An SRSF protein kinase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P78362] | Homo sapiens (human) |
Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | A serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform that is encoded in the genome of human. [PRO:CNA, UniProtKB:P67775] | Homo sapiens (human) |
Ras-related C3 botulinum toxin substrate 1 | A Ras-related C3 botulinum toxin substrate 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P63000] | Homo sapiens (human) |
Serine/threonine-protein kinase SIK1 | A serine/threonine-protein kinase SIK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P57059] | Homo sapiens (human) |
Death-associated protein kinase 1 | A death-associated protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53355] | Homo sapiens (human) |
Tyrosine-protein kinase JAK3 | A tyrosine-protein kinase JAK3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P52333] | Homo sapiens (human) |
Adenylate cyclase type 7 | An adenylate cyclase type 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51828] | Homo sapiens (human) |
Cytoplasmic tyrosine-protein kinase BMX | A cytoplasmic tyrosine-protein kinase BMX that is encoded in the genome of human. [PRO:WCB, UniProtKB:P51813] | Homo sapiens (human) |
Ribosomal protein S6 kinase alpha-3 | A ribosomal protein S6 kinase alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51812] | Homo sapiens (human) |
Tyrosine-protein kinase Blk | A tyrosine-protein kinase BLK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51451] | Homo sapiens (human) |
Glycogen synthase kinase-3 beta | A glycogen synthase kinase-3 beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49841] | Homo sapiens (human) |
Glycogen synthase kinase-3 beta | A glycogen synthase kinase-3 beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49841] | Homo sapiens (human) |
Presenilin-2 | A presenilin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49810] | Homo sapiens (human) |
Presenilin-1 | A presenilin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49768] | Homo sapiens (human) |
Tyrosine-protein kinase SYK | A tyrosine-protein kinase SYK that is encoded in the genome of human. [PRO:CNA, UniProtKB:P43405] | Homo sapiens (human) |
Tyrosine-protein kinase ZAP-70 | A tyrosine-protein kinase ZAP-70 that is encoded in the genome of human. [PRO:CL, UniProtKB:P43403] | Homo sapiens (human) |
Tyrosine-protein kinase Tec | A tyrosine-protein kinase Tec that is encoded in the genome of human. [PRO:WCB, UniProtKB:P42680] | Homo sapiens (human) |
Adenylate cyclase type 8 | An adenylate cyclase type 8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P40145] | Homo sapiens (human) |
TGF-beta receptor type-1 | A TGF-beta receptor type-1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P36897] | Homo sapiens (human) |
Alpha-1B adrenergic receptor | An alpha-1B adrenergic receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35368] | Homo sapiens (human) |
Alpha-1A adrenergic receptor | An alpha-1A adrenergic receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35348] | Homo sapiens (human) |
RAC-alpha serine/threonine-protein kinase | A RAC-alpha serine/threonine-protein kinase that is encoded in the genome of human. [PRO:WCB, UniProtKB:P31749] | Homo sapiens (human) |
Insulin-like growth factor-binding protein 5 | An insulin-like growth factor-binding protein 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24593] | Homo sapiens (human) |
Tyrosine-protein kinase Fer | A tyrosine-protein kinase Fer that is encoded in the genome of human. [PRO:DNx, UniProtKB:P16591] | Homo sapiens (human) |
Proto-oncogene vav | A proto-oncogene vav that is encoded in the genome of human. [PRO:CL, UniProtKB:P15498] | Homo sapiens (human) |
cAMP-dependent protein kinase type II-alpha regulatory subunit | A cAMP-dependent protein kinase type II-alpha regulatory subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13861] | Homo sapiens (human) |
Proto-oncogene tyrosine-protein kinase Src | A proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of human. [PRO:CNA, UniProtKB:P12931] | Homo sapiens (human) |
Mast/stem cell growth factor receptor Kit | A mast/stem cell growth factor receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P10721] | Homo sapiens (human) |
cAMP-dependent protein kinase type I-alpha regulatory subunit | A cAMP-dependent protein kinase type I-alpha regulatory subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P10644] | Homo sapiens (human) |
Interleukin-8 | An interleukin-8 that is encoded in the genome of human. [PMID:15623624, SALO:AJ] | Homo sapiens (human) |
Tyrosine-protein kinase HCK | A tyrosine-protein kinase HCK that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08631] | Homo sapiens (human) |
Tyrosine-protein kinase Fyn | A tyrosine-protein kinase Fyn that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06241] | Homo sapiens (human) |
Tyrosine-protein kinase Lck | A tyrosine-protein kinase Lck that is encoded in the genome of human. [PRO:DNx] | Homo sapiens (human) |
Heat shock protein beta-1 | A heat shock protein beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04792] | Homo sapiens (human) |
Receptor tyrosine-protein kinase erbB-2 | A receptor tyrosine-protein kinase erbB-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P04626] | Homo sapiens (human) |
Phospholipase A2 | A phospholipase A2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04054] | Homo sapiens (human) |
Mitogen-activated protein kinase kinase kinase kinase 4 | A mitogen-activated protein kinase kinase kinase kinase 4 that is encoded in the genome of human. [PRO:AL, UniProtKB:O95819] | Homo sapiens (human) |
Serine/threonine-protein kinase OSR1 | A serine/threonine-protein kinase OSR1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95747] | Homo sapiens (human) |
Adenylate cyclase type 5 | An adenylate cyclase type 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95622] | Homo sapiens (human) |
Rap guanine nucleotide exchange factor 3 | A Rap guanine nucleotide exchange factor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95398] | Homo sapiens (human) |
Serine/threonine-protein kinase 17B | A serine/threonine-protein kinase 17B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O94768] | Homo sapiens (human) |
Ribosomal protein S6 kinase alpha-4 | A ribosomal protein S6 kinase alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75676] | Homo sapiens (human) |
Ribosomal protein S6 kinase alpha-5 | A ribosomal protein S6 kinase alpha-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75582] | Homo sapiens (human) |
Tyrosine-protein kinase JAK2 | A tyrosine-protein kinase JAK2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60674] | Homo sapiens (human) |
Adenylate cyclase type 9 | An adenylate cyclase type 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60503] | Homo sapiens (human) |
Adenylate cyclase type 3 | An adenylate cyclase type 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60266] | Homo sapiens (human) |
Adenylate cyclase type 6 | An adenylate cyclase type 6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43306] | Homo sapiens (human) |
Death-associated protein kinase 3 | A death-associated protein kinase 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43293] | Homo sapiens (human) |
3-phosphoinositide-dependent protein kinase 1 | A 3-phosphoinositide-dependent protein kinase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15530] | Homo sapiens (human) |
Serine/threonine-protein kinase DCLK1 | A serine/threonine-protein kinase DCLK1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15075] | Homo sapiens (human) |
ATP-dependent RNA helicase DDX3X | An ATP-dependent RNA helicase DDX3X that is encoded in the genome of human. [PRO:DNx, UniProtKB:O00571] | Homo sapiens (human) |
Compound | Definition | Classes | Roles |
---|---|---|---|
dinitrochlorobenzene | 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds. | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
protocatechuic acid | 3,4-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 |
acetic acid | acetic acid : A simple monocarboxylic acid containing two carbons. Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed) | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
adenine | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite | |
9-xylosyladenine | 9-xylosyladenine: RN given refers to cpd with unspecified isomeric designation; structure in first source | purine nucleoside | |
catechol | catechols | allelochemical; genotoxin; plant metabolite | |
citric acid, anhydrous | citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability. | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
salicylic acid | Scalp: 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 acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
4-nitrophenylphosphate | 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid | aryl phosphate | mouse metabolite |
aminocaproic acid | 6-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 |
dimethyl sulfoxide | dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation. | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
malonic acid | dicarboxylic acid : Any carboxylic acid containing two carboxy groups. malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. | alpha,omega-dicarboxylic acid | human metabolite |
oxalic acid | oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent. | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
pentachlorophenol | PENTA: structure given in first source | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
phenylacetic acid | phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
phosphoric acid | phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. phosphoric acid: concise etchant is 37% H3PO4 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
phthalic acid | phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178 | benzenedicarboxylic acid | human xenobiotic metabolite |
pyrazinoic acid | pyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. pyrazinoic acid: active metabolite of pyrazinamide; structure | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
pyrogallol | benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | benzenetriol; phenolic donor | plant metabolite |
urea | isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. pseudourea: clinical use; structure | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxy-2-(di-n-propylamino)tetralin | 8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin. 8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
1-(2-methoxyphenyl)piperazine | 1-(2-methoxyphenyl)piperazine: RN given refers to parent cpd | piperazines | |
1-(3-chlorophenyl)piperazine | 1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone. 1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
1-anilino-8-naphthalenesulfonate | 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
edelfosine | 1-octadecyl-2-methylglycero-3-phosphocholine : A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively. edelfosine : A racemate comprising equimolar amounts of (R)- and (S)-edelfosine. edelfosine: RN given refers to parent cpd | glycerophosphocholine | |
pd 173074 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
beta-resorcylic acid | beta-resorcylic acid: RN given refers to parent cpd; structure | ||
3,4-dichloroisocoumarin | 3,4-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-methylcholanthrene | 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. Methylcholanthrene: A carcinogen that is often used in experimental cancer studies. | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
cgp 52411 | 4,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups. 4,5-dianilinophthalimide: structure given in first source | phthalimides | geroprotector; tyrosine kinase inhibitor |
4-aminopyridine | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker | |
5-fluoroindole-2-carboxylic acid | 5-fluoroindole-2-carboxylic acid: N-methyl-D-aspartate receptor antagonist | indolyl carboxylic acid | |
5-iodo-2-(oxaloamino)benzoic acid | organoiodine compound | ||
6-fluoronorepinephrine | 6-fluoronorepinephrine: agonist for activation of alpha & beta adrenergic-sensitive cyclic AMP-generating systems; RN given refers to cpd without isomeric designation | catechols | |
tacrine | tacrine : 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 |
rtki cpd | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector | |
tyrphostin a23 | tyrphostin A23: inhibits EGF-stimulated thymidine incorporation as well as EGF-stimulated receptor autophosphorylation & tyrosine phosphorylation & cell proliferation; structure given in first source | catechols | |
tyrphostin 25 | benzenetriol | ||
alfuzosin | alfuzosin: structure given in first source | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
tocopheroxy radical | tocopheroxy radical: RN given refers to radical ion (1+), (2R-(2R*(4R*,8R*)))-isomer; RN for cpd without isomeric designation not available 12/90 | tocopherol | |
alprenolol | alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent. Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent. | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
ambroxol | Ambroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride. | aromatic amine | |
amiodarone | amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance. | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amlodipine | amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION. | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
apraclonidine | apraclonidine : An imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group. apraclonidine: relieves postoperative intraocular pressure following trabeculoplasty; RN given refers to parent cpd | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
astemizole | astemizole : 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 |
atenolol | atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect. | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azelastine | azelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
benzbromarone | benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout. | 1-benzofurans; aromatic ketone | uricosuric drug |
benzo(a)pyrene | Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
beta-naphthoflavone | beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308) | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
bisindolylmaleimide i | bisindolylmaleimide I: a bis(indolyl)maleimide | ||
2-(1-(2-(1-methylpyrrolidino)ethyl)-1h-indol-3-yl)maleimide | bisindolylmaleimide II: protein kinase C inhibitor; see also bisindolylmaleimide I | ||
bisindolylmaleimide iii | bisindolylmaleimide III: structure in first source | indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
bisindolylmaleimide iv | indoles; maleimides | ||
ro 31-7549 | Ro 31-7549: structure | ||
ro 31-8425 | |||
bithionol | bithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations. | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
bmy 7378 | piperazines | ||
bunazosin | bunazosin: structure | quinazolines | |
candesartan | candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension. candesartan: a nonpeptide angiotensin II receptor antagonist | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
carisoprodol | carisoprodol : A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. Carisoprodol: A centrally acting skeletal muscle relaxant whose mechanism of action is not completely understood but may be related to its sedative actions. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1202) | carbamate ester | muscle relaxant |
carmofur | organohalogen compound; pyrimidines | ||
celecoxib | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
chlorpromazine | chlorpromazine : 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 |
cirazoline | cirazoline: posseses agonist properties at alpha-adrenoreceptor sites; RN given refers to parent cpd | aromatic ether | |
cisapride | cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere. Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed) | benzamides | |
cl 387785 | CL 387785: structure in first source N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide : A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group. | bromobenzenes; quinazolines; secondary carboxamide; ynamide | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
clonidine | clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group. Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION. | clonidine; imidazoline | |
clotrimazole | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic | |
[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(2-furanyl)methanone | N-arylpiperazine | ||
damnacanthal | damnacanthal: structure given in first source; isolated from the stem bark and roots of Morinda lucida; a selective inhibitor of p56(lck) tyrosine kinase activity | aldehyde; monohydroxyanthraquinone | |
r 59022 | R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonist | diarylmethane | |
diclofenac | diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt. | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
dioctanoyl ethylene glycol | |||
dipyridamole | dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots. Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752) | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
disulfiram | organic 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 | |
n(6),n(6)-dimethyladenine | N(6),N(6)-dimethyladenine : A tertiary amine that is adenine substituted at N-6 by geminal methyl groups. | tertiary amine | |
donepezil | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE. | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
doxazosin | doxazosin : 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 |
ebastine | organic molecular entity | ||
econazole | 1-{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 | |
efavirenz | |||
ellipticine | ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
embelin | embelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. embelin: from Embelia fruit (Myrsinaceae) | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
felbamate | felbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy. Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY. | carbamate ester | anticonvulsant; neuroprotective agent |
fenbendazole | fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. Fenbendazole: Antinematodal benzimidazole used in veterinary medicine. | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
fluconazole | fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS. | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flucytosine | flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent. | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug | |
fosfosal | fosfosal: reagent for testing the activity of certain enzymes | aryl phosphate | |
go 6976 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor | |
guaifenesin | Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations. | methoxybenzenes | |
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | isoquinolines; sulfonamide | ||
n-(2-aminoethyl)-5-isoquinolinesulfonamide | |||
1-(5-isoquinolinesulfonyl)piperazine | isoquinolines | ||
ha 1004 | N-(2-guanidinoethyl)-5-isoquinolinesulfonamide: structure given in first source | isoquinolines | |
fasudil | fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia. fasudil: intracellular calcium antagonist; structure in first source | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
haloperidol | haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279) | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether | 2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether: potent inhibitor of protein kinase C; structure given in first source | tannin | |
hexachlorophene | hexachlorophene : 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 |
miltefosine | miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine. miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
amrinone | amrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure. Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell. | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indirubin-3'-monoxime | indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. indirubin-3'-monoxime: has antiangiogenic activity | ||
indomethacin | indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES. | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic; xenobiotic metabolite |
iodoquinol | iodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide. | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
isoproterenol | isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant. | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
itraconazole | piperazines | ||
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | WHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration | ||
whi p154 | WHI P154: an anti-leukemic agent; structure in first source | ||
whi p97 | quinazolines | ||
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone | ZM39923: structure in first source | naphthalenes | |
1-(2-naphthalenyl)-2-propen-1-one | naphthalenes | ||
7-amino-4-chloro-3-methoxy-2-benzopyran-1-one | isocoumarins | ||
staurosporine aglycone | staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor | ||
nsc 664704 | kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). kenpaullone: inhibits CDK1/cyclin B; structure in first source | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
ketamine | ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors. | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketorolac | 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively. ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure. Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed) | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
kojic acid | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent | |
kynurenic acid | kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool. | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
labetalol | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure. Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS. | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
beta-lapachone | beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
lavendustin a | lavendustin A: from Streptomyces griseolavendus; structure given in first source | aromatic amine | |
2-hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acid | aromatic amine | ||
bunolol | Bunolol: A nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma. | naphthalenone | |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
mebendazole | mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES. | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclofenamic acid | meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis. | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
vitamin k 3 | Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
mianserin | mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere. Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
miconazole | 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion. | dichlorobenzene; ether; imidazoles | |
minaprine | minaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structure | morpholines; pyridazines; secondary amine | antidepressant; antiparkinson drug; cholinergic drug; dopamine uptake inhibitor; serotonin uptake inhibitor |
mirtazapine | Mirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders. | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mitoxantrone | mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. Mitoxantrone: An anthracenedione-derived antineoplastic agent. | dihydroxyanthraquinone | analgesic; antineoplastic agent |
1-(3-trifluoromethylphenyl)piperazine | 1-(3-(trifluoromethyl)phenyl)piperazine : A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. 1-(3-trifluoromethylphenyl)piperazine: acts as serotonin agonist; structure | (trifluoromethyl)benzenes; N-arylpiperazine | environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic |
naftopidil | piperazines | ||
nan 190 | 1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine: RN from Toxlit NAN 190 : An N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group. | N-alkylpiperazine; N-arylpiperazine; phthalimides | serotonergic antagonist |
naphazoline | Naphazoline: An adrenergic vasoconstrictor agent used as a decongestant. | naphthalenes | |
niclosamide | niclosamide : 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 |
nisoldipine | methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris. nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris. Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina. | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
masoprocol | nordihydroguaretic acid: antioxidant compound found in the creosote bush (Larrea tridentata) | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
nu6102 | NU6102: structure in first source | ||
olomoucine | olomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor. olomoucine: inhibits protein P34CDC2 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
oxeladin | oxeladin: RN given refers to parent cpd; structure | alkylbenzene | |
oxymetazoline | oxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251) | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
pd 153035 | 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7. | aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
pd 158780 | aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
pd168393 | PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively. | acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline | epidermal growth factor receptor antagonist |
pd 169316 | 2-(4-nitrophenyl)-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole: p38 MAP kinase inhibitor | imidazoles | |
pd 98059 | 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
perhexiline | Perhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis. | piperidines | cardiovascular drug |
phloretin | dihydrochalcones | antineoplastic agent; plant metabolite | |
moxonidine | moxonidine: structure given in first source | organohalogen compound; pyrimidines | |
pindolol | pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol. Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638) | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
1-NA-PP1 | pyrazolopyrimidine | tyrosine kinase inhibitor | |
ag 1879 | 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
practolol | practolol : N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias. Practolol: A beta-1 adrenergic antagonist that has been used in the emergency treatment of CARDIAC ARRYTHMIAS. | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
prazosin | prazosin : 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 |
primidone | primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures. Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite. | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
prochlorperazine | prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612) | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
propranolol | propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs. | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
quetiapine | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist | |
raloxifene | raloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively. | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
risperidone | risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2. Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA. | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine | alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist |
ritanserin | ritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action. Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure. | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
rizatriptan | rizatriptan: structure given in first source; RN given refers to benzoate | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
ro 31-8220 | Ro 31-8220: a protein kinase C inhibitor | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
sanguinarine | benzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family. | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
sb 220025 | SB 220025: inhibits p38 mitogen-activated protein kinase; structure in first source SB220025 : Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively. | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sb 239063 | SB 239063: structure in first source SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively. | imidazoles | |
sb 202190 | 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sb 216995 | |||
sk&f 86002 | 6-(4-fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole: inhibits p38 MAP kinase | imidazoles | |
spiperone | spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively. Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA. | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
imatinib | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor | |
vorinostat | vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME. | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulconazole | 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group. sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections. sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
sulfadimethoxine | sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent. | aromatic ether; pyrimidines; substituted aniline; sulfonamide; sulfonamide antibiotic | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfasalazine | sulfasalazine : 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) | ||
sumatriptan | sumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults. Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS. | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
suramin | suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties. | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
terazosin | Terazosin: induces decreased blood pressure; used in the treatment of benign prostatic hyperplasia | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terfenadine | Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME. | diarylmethane | |
2,4-thiazolidinedione | 1,3-thiazolidine-2,4-dione : A thiazolidenedione carrying oxo substituents at positions 2 and 4. thiazolidine-2,4-dione: structure in first source | thiazolidenedione | |
thioridazine | thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA. | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
tolmetin | tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN. | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
troglitazone | Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity. | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
5-methylurapidil | |||
n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamide | piperazines | ||
wb 4101 | N-(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 |
xylometazoline | xylometazoline: RN given refers to parent cpd; structure | alkylbenzene | |
ici 204,219 | zafirlukast: a leukotriene D4 receptor antagonist | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zm 336372 | N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first source | benzamides | |
zotepine | zotepine: structure | dibenzothiepine; tertiary amino compound | alpha-adrenergic drug; second generation antipsychotic; serotonergic drug |
phentolamine | phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease. | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
thyroxine | thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism. | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine; thyroxine zwitterion | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
estrone | Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
methyldimethylaminoazobenzene | 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. Methyldimethylaminoazobenzene: A very potent liver carcinogen. | ||
allyl isothiocyanate | allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
uridine | uridines | drug metabolite; fundamental metabolite; human metabolite | |
piperoxan | Piperoxan: A benzodioxane alpha-adrenergic blocking agent with considerable stimulatory action. It has been used to diagnose PHEOCHROMOCYTOMA and as an antihypertensive agent. | ||
phenylephrine | phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent. | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
levodopa | L-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 |
methoxamine | methoxamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group and the phenyl ring is 2- and 5-substituted with methoxy groups. It is an antihypotensive agent (pressor), an agonist acting directly at alpha-adrenoceptors with selectivity for the alpha-1 adrenoceptor subtype similar to phenylephrine . Methoxamine: An alpha-1 adrenergic agonist that causes prolonged peripheral VASOCONSTRICTION. | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
adenosine monophosphate | Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
zoxazolamine | Zoxazolamine: A uricosuric and muscle relaxant. Zoxazolamine acts centrally as a muscle relaxant, but the mechanism of its action is not understood. | benzoxazole | |
methionine | methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. Methionine: A sulfur-containing essential L-amino acid that is important in many body functions. | aspartate family amino acid; L-alpha-amino acid; methionine; methionine zwitterion; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
17-alpha-hydroxyprogesterone | 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 17alpha-hydroxy steroid; 17alpha-hydroxy-C21-steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
phenacyl bromide | phenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2. phenacyl bromide: structure | acetophenones; alpha-bromoketone | metabolite |
4-hydroxypropiophenone | acetophenones | ||
gibberellic acid | gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
tetrabromobisphenol a | 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. tetrabromobisphenol A: a brominated flame retardant | brominated flame retardant; bromobisphenol | |
purpurin | purpurin : A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. purpurin: from Rubiaceae plants; structure in first source | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
skimmianine | skimmianine: furanoquinoline alkaloid from Teclea (RUTACEAE) | alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
9,10-phenanthrenequinone | 9,10-phenanthrenequinone: structure | phenanthrenes | |
phthalimide | phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. phthalimide: RN given refers to parent cpd | phthalimides | |
acriflavine chloride | 3,6-diamino-10-methylacridinium chloride : The 10-methochloride salt of 3,6-diaminoacridine. Note that a mixture of this compound with 3,6-diaminoacridine (proflavine) is known as acriflavine or neutral acriflavine. | organic chloride salt | antibacterial agent; antiseptic drug; carcinogenic agent; histological dye; intercalator |
7-amino-4-hydroxy-2-naphthalenesulfonic acid | 7-amino-4-hydroxy-2-naphthalenesulfonic acid : An aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. 7-amino-4-hydroxy-2-naphthalenesulfonic acid: structure given in first source | aminonaphthalenesulfonic acid; naphthols | metabolite |
thiophene-3-carboxylic acid | thiophene-3-carboxylic acid: structure in first source | ||
2-nitrotoluene | nitrotoluene : Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring. | mononitrotoluene | carcinogenic agent; environmental contaminant |
salicylaldehyde | o-hydroxybenzaldehyde: structure in first source | hydroxybenzaldehyde | nematicide; plant metabolite |
1-naphthol | 1-naphthol : A naphthol carrying a hydroxy group at position 1. 1-naphthol: RN given refers to parent cpd hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. | naphthol | genotoxin; human xenobiotic metabolite |
pyronine | pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method. Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-. | iminium salt; organic chloride salt | histological dye |
phenidone | phenidone: photographic developer; RN given refers to parent cpd; structure | ||
6-methylcoumarin | 6-methylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 6 is replaced by a methyl group. 6-methylcoumarin: synthetic fragrance causing contact photoallergy | coumarins | allergen; fragrance |
phenylpiperazine | phenylpiperazine: RN given refers to parent cpd | ||
xanthenes | Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | xanthene | |
ethyl benzoate | ethyl benzoate : A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. | benzoate ester; ethyl ester | flavouring agent; fragrance; volatile oil component |
3,4-xylidine | 3,4-dimethylaniline : A primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals. | dimethylaniline; primary arylamine | |
4-methyl-3-nitrobenzoic acid | 4-methyl-3-nitrobenzoic acid: a migration inhibitor, prevents breast cancer metastasis in SCID mice | ||
fentichlor | fentichlor: structure fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine. | aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol | antiinfective agent; drug allergen |
thiophene-2-carboxaldehyde | formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2. thiophene-2-carboxaldehyde: structure in first source | aldehyde; thiophenes | metabolite |
acetophenone | acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
4-bromophenacyl bromide | 4-bromophenacyl bromide: phospholipidase A(2) inhibitor; structure | ||
4-chloroacetophenone | |||
methylaniline | methylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions. methylaniline: RN given refers to parent cpd | methylaniline; phenylalkylamine; secondary amine | |
4-aminodiphenylamine | 4-aminodiphenylamine: RN given refers to parent cpd p-aminodiphenylamine : An aromatic amine that is the 4-amino derivative of diphenylamine. | aromatic amine; secondary amino compound | allergen |
1,3-diphenylurea | 1,3-diphenylurea : A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera). | phenylureas | cytokinin; plant metabolite |
maleic anhydride | maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid. Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns. | cyclic dicarboxylic anhydride; furans | allergen |
adiponitrile | |||
ergotamine | ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS. | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
1-amino-4-hydroxyanthraquinone | |||
1-hydroxyphthalazine | 1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5 | phthalazines | |
5-amino-2-naphthalenesulfonate | aminonaphthalenesulfonic acid | ||
benzethonium chloride | benzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. | aromatic ether; chloride salt; quaternary ammonium salt | antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant |
pyrazolanthrone | anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase. pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
1,4-naphthoquinone | 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene. | 1,4-naphthoquinones | |
2,4-dihydroxybenzophenone | 2,4-dihydroxybenzophenone: structure in first source | benzophenones | |
sterogenol | cetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. hexadecylpyridinium bromide: structure in first source | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
20-alpha-dihydroprogesterone | 20-alpha-Dihydroprogesterone: A biologically active 20-alpha-reduced metabolite of PROGESTERONE. It is converted from progesterone to 20-alpha-hydroxypregn-4-en-3-one by the 20-ALPHA-HYDROXYSTEROID DEHYDROGENASE in the CORPUS LUTEUM and the PLACENTA. | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
azapetine | azapetine: RN given refers to parent cpd; structure | benzazepine | |
yohimbine | yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION. | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
quinestrol | Quinestrol: The 3-cyclopentyl ether of ETHINYL ESTRADIOL. After gastrointestinal absorption, it is stored in ADIPOSE TISSUE, slowly released, and metabolized principally to the parent compound. It has been used in ESTROGEN REPLACEMENT THERAPY. (From AMA Drug Evaluations Annual, 1992, p1011) | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
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 | catechin | antioxidant; plant metabolite |
indazoles | Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | indazole | |
7-azaindole | pyrrolopyridine | ||
indopan | alpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position. indopan: RN given refers to parent cpd without isomeric designation | tryptamines | |
lithocholic acid | lithocholate : A bile acid anion that is the conjugate base of lithocholic acid. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
nandrolone | nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position. | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
hydantoins | Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | imidazolidine-2,4-dione | |
glycyrrhetinic acid | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite | |
glaucine | |||
nuciferine | nuciferine: CNS depressant; glutamic acid antagonist; RN given refers to (R)-isomer; structure | ||
indirubin | |||
plumbagin | plumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. plumbagin: a superoxide anion generator | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7h-furo(3,2-g)(1)benzopyran-7-one | 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one: isolated from Angelica dahurica (Umbelliferae); structure in first source | psoralens | |
indigo | hydroxyindoles | ||
phenylpropanolamine | (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations. Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant. | amphetamines; phenethylamine alkaloid | plant metabolite |
oleanolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite | |
dihydroergotamine | dihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS. | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
hematoxylin | Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
2,3-dimethylphenol | |||
acetylsalicylsalicylic acid | acetylsalicylsalicylic acid: potential immunogenic impurity in aspirin; structure | carbonyl compound | |
maleimide | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | |
myristic acid | Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed) tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
gentian violet | crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain. Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
neutral red base | neutral red base : A member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. | aromatic amine; phenazines; primary amino compound; tertiary amino compound | acid-base indicator; dye; two-colour indicator |
trimesic acid | benzene-1,3,5-tricarboxylic acid : A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5. trimesic acid: RN given refers to parent cpd | benzoic acids; tricarboxylic acid | |
1,2-Dihydroquinolin-2-imine | aminoquinoline | ||
succinimide | succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. succinimide: RN given refers to parent cpd | dicarboximide; pyrrolidinone | |
pentabromophenol | |||
erythromycin | erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus). erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. | cyclic ketone; erythromycin | |
phenylphosphate | phenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol. phenylphosphate: structure given in first source | aryl phosphate | mouse metabolite |
1H-indazol-3-amine | 1H-indazol-3-amine: structure in first source | indazoles | |
1,4-androstadiene-3,17-dione | 1,4-androstadiene-3,17-dione: structure androsta-1,4-diene-3,17-dione : A steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17. | 17-oxo steroid; 3-oxo-Delta(1) steroid; 3-oxo-Delta(4) steroid | |
5-aminobenzimidazole | 5-aminobenzimidazole: RN given refers to parent cpd; structure given in first source; inhibits gastric secretions in rats | ||
2-hydroxybenzothiazole | 2-hydroxybenzothiazole : Benzothiazole substituted with a hydroxy group at the 2-position. | benzothiazole | |
estradiol valerate | steroid ester | ||
adenosine 5'-tetraphosphate | adenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. | adenosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate | |
3,3',4',5-tetrachlorosalicylanilide | 3,3',4',5-tetrachlorosalicylanilide : A salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety. | dichlorobenzene; salicylanilides | drug allergen |
tribromsalan | tribromosalicylanilide : A salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety. tribromsalan: germicide; structure | salicylanilides | |
antimycin a | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide | |
d-alpha tocopherol | (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen. Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS. | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
ibufenac | ibufenac : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects. ibufenac: used in the treatment of rheumatism; also possesses antipyretic properties; minor descriptor (75-84); on-line & Index Medicus search PHENYLACETATES (75-84); RN given refers to parent cpd | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
4-octylphenol | 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. 4-octylphenol: xenoestrogen | phenols | metabolite; surfactant; xenoestrogen |
benperidol | Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567) | aromatic ketone | |
n-methyllaurotetanine | N-methyllaurotetanine: structure in first source | ||
fucose | fucose : Any deoxygalactose that is deoxygenated at the 6-position. Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule. L-fucopyranose : The pyranose form of L-fucose. | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
4-nitrohippuric acid | 4-nitrohippuric acid: major metabolite of 4-nitrobenzoic acid | ||
3-aminofluoranthene | 3-aminofluoranthene: structure given in first source | ||
mannose | mannopyranose : The pyranose form of mannose. | D-aldohexose; D-mannose; mannopyranose | metabolite |
nafenopin | 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid : A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether. nafenopin : A racemate comprising equimolar amounts of (R)- and (S)-nafenopin. It is a peroxisome proliferator that is used experimentally to promote liver tumors. It has been used as an hypolipidemic agent. Nafenopin: A peroxisome proliferator that is used experimentally to promote liver tumors. It has been used as an antihyperlipoproteinemic agent. | aromatic ether; monocarboxylic acid | |
Bis(2-furanylmethyl) disulfide | heteroarene | ||
canadine, (s)-isomer | (S)-canadine : The (S)-enantiomer of canadine. | an (S)-7,8,13,14-tetrahydroprotoberberine; canadine | plant metabolite |
carboxin | carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. Carboxin: A systemic agricultural fungicide and seed treatment agent. | anilide; anilide fungicide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione | oxopurine | ||
aseanostatin p5 | 12-methyltetradecanoic acid : A branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent. aseanostatin P5: from actinomycetes; inhibits myeloperoxidase release from human polymorphonuclear leukocytes; structure given in first source; RN given refers to cpd without isomeric designation | branched-chain saturated fatty acid; long-chain fatty acid | |
diadenosine tetraphosphate | P(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. | diadenosyl tetraphosphate | Escherichia coli metabolite; mouse metabolite |
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine | flavin | ||
4-(4-dimethylaminophenylazo)benzoic acid | 4-(4-dimethylaminophenylazo)benzoic acid: structure given in first source | ||
helenalin | helenalin : A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). helenalin: toxic principle of Helenium microcephalum (smallhead sneezeweed); structure NF-kappaB inhibitor : An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
hydroxyzine pamoate | piperazinium salt | ||
pyrazophos | pyrazophos : A member of the class of pyrazolopyrimidines that is the ethyl ester of 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid. A profungicide (by hydrolysis of the thionophosphate group to afford the corresponding 2-hydroxypyrazolopyrimidine fungicide), it is used to control Erysiphe, Helminthosporium and Rhynchospium in cereals. pyrazophos: structure | ethyl ester; organic thiophosphate; pyrazolopyrimidine | antifungal agrochemical; insecticide; phospholipid biosynthesis inhibitor; profungicide |
3-methyl-2-quinoxalinol | quinoxaline derivative | ||
pizotyline | pizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods. Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches. | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
tetradecanoylphorbol acetate | phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA. | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
danazol | Danazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders. | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
metergoline | metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7. Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy. | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
phosphotyrosine | O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group. Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
2,6-diaminopurine | 9H-purine-2,6-diamine : A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. | 2,6-diaminopurines; primary amino compound | antineoplastic agent |
cetyldimethylethylammonium bromide | |||
1,4-diaminoanthraquinone | |||
rafoxanide | Rafoxanide: Veterinary anthelmintic for grazing animals; used to treat fluke, hookworm and other infestations. | ||
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | anthracycline | ||
frentizole | frentizole: RN given refers to parent cpd | ||
2-n-octyl-4-isothiazolin-3-one | octhilinone : A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. | 1,2-thiazoles | antibacterial agent; antifungal agrochemical; environmental contaminant; xenobiotic |
indoramin | Indoramin: An alpha-1 adrenergic antagonist that is commonly used as an antihypertensive agent. | tryptamines | |
zidovudine | zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
procymidone | procymidone : An azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. | ||
paclitaxel | Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
dobutamine | dobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure. Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY. | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
ribavirin | Rebetron: Rebetron is tradename | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
phorbol 12,13-dibutyrate | Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems. | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
carbidopa | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor | |
methyldopa | alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring. Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent. | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
2-Acetyl-7-methoxybenzofuran | benzofurans | ||
iem 611 | IEM 611: RN given refers to parent cpd; structure | ||
aminomebendazole | aminomebendazole: structure in first source | benzophenones | |
Nanaomycin | benzoisochromanequinone | ||
pirfenidone | pirfenidone : A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis. | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
epirubicin | Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA. | aminoglycoside; anthracycline; anthracycline antibiotic; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
closantel | closantel : 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 | |
s-2678 | XI-006: diminishes MDM4 promoter activity; structure in first source | ||
elliptinium | elliptinium: synthetic ellipticine deriv; RN given refers to parent cpd; structure given in first source | carbazoles | |
st 1059 | deglymidodrine : An aromatic ether that is 1,4-dimethoxybenzene which is substituted at position 2 by a 2-amino-1-hydroxyethyl group. The immediate and active metabolite of midrodine, it is a direct-acting sympathomimetic with selective alpha-adrenergic agonist activity. Midrodine is used (generally as its hydrochloride salt) as a prodrug for deglymidodrine, which acts as a peripheral vasoconstrictor in the treatment of certain hypotensive states. ST 1059: metabolite of midodrine (ST-1085); RN given refers to parent cpd | aromatic ether; primary amino compound; secondary alcohol | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
triciribine phosphate | |||
staurosporine | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector | |
colforsin | Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
chaetochromin | chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | ||
idazoxan | idazoxan : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group. Idazoxan: A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity. | benzodioxine; imidazolines | alpha-adrenergic antagonist |
nsc 330770 | NSC 330770: structure given in first source | ||
mifepristone | Mifepristone: 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 |
ipsapirone | N-arylpiperazine | ||
sertindole | sertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group. | heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole | alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist |
niguldipine | diarylmethane | ||
topotecan hydrochloride | |||
aripiprazole | aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression. | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
ziprasidone | ziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
adenosine | quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
Pronetalol hydrochloride | organic molecular entity | ||
Allyl nonanoate | fatty acid ester | ||
vanadates | vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms. Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects. | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
benzylaminopurine | benzylaminopurine: a plant growth regulator N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 6-aminopurines | cytokinin; plant metabolite |
5-Aminoacenaphthene | naphthalenes | ||
paroxetine hydrochloride | paroxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug. | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
propranolol hydrochloride | Inderex: combination of above cpds; used in treatment of hypertension | hydrochloride | |
nelfinavir | nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
3,4-dihydro-2(1h)-quinolinone | 3,4-dihydro-2(1H)-quinolinone: structure in first source | quinolines | |
ursolic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite | |
norharman | beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. norharman: RN given refers to parent cpd | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
betulinic acid | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite | |
platanic acid | platanic acid : A pentacyclic triterpenoid that is 30-norlupan-28-oic acid substituted by a 3beta-hydroxy and an oxo group at position 20. It is isolated from the leaves of Syzygium claviflorum and exhibits anti-HIV activity. platanic acid: inhibits HIV replication; isolated from Syzigium claviflorum; structure in first source | hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid | anti-HIV agent; metabolite |
diacetylfluorescein | |||
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 |
gallocatechol | (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii. gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases | gallocatechin | antioxidant; metabolite; radical scavenger |
o-(6)-methylguanine | 6-O-methylguanine : A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. methylguanine : A 2-aminopurine that is guanine bearing a single methyl substituent. O-(6)-methylguanine: structure | methylguanine | mutagen |
cephalotaxine | benzazepine alkaloid; benzazepine alkaloid fundamental parent; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound | ||
pyrrolidine dithiocarbamate | pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine. pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
benzoclidine | benzoclidine: Russian drug; RN given refers to parent cpd | ||
physodic acid | physodic acid: lichen constituent | carbonyl compound | |
toxoflavin | toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. toxoflavin: azapteridine antibiotic; structure | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
2-amino-7-naphthol | 2-amino-7-naphthol: mutagen metabolite of 2-aminonaphthalene; RN given refers to parent cpd | ||
2-bromo-4'-nitroacetophenone | |||
harmol | harmol: harmol is oxidized form of alkaloid harmolol; RN given refers to parent cpd; structure | harmala alkaloid | |
2,3-trimethylene-4-quinazolone | 2,3-trimethylene-4-quinazolone: structure in first source | quinazolines | |
clomipramine hydrochloride | clomipramine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of clomipramine and hydrogen chloride. One of the more sedating tricyclic antidepressants, it is used for the treatment of depression as well as obsessive-compulsive disorder and phobias. | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
sertraline | sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression. | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
sanguinarine chloride | |||
bithionol sulfoxide | bithionol sulfoxide: RN given refers to parent cpd; structure | ||
2,4-dimethoxybenzaldehyde | |||
4-cyclopentene-1,3-dione | 4-cyclopentene-1,3-dione: induces electrical excitability in crustacean muscle | ||
n-methylmaleimide | N-methylmaleimide: structure in first source | ||
6-methoxypurine | 6-methoxypurine: structure in first source | ||
etidin | etidin: structure; geroprotective agent | ||
atipamezole | |||
labetalol hydrochloride | salicylamides | ||
aceclofenac | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug | |
7-hydroxystaurosporine | |||
epicatechin | (-)-epicatechin : A catechin with (2R,3R)-configuration. | catechin; polyphenol | antioxidant |
hesperetin | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite | |
chelerythrine chloride | |||
betulin | betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. betulin: isolated from various white birch bark (BETULA) | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
suksdorfin | suksdorfin: from the fruit of Lomatium sukdorfi; structure given in first source | ||
teleocidin b-4 | teleocidins: structure; RN given refers to teleocidin | ||
picropodophyllin | picropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
9-methoxyellipticine | 9-methoxyellipticine: RN given refers to parent cpd | ||
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid | 2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid: structure given in first source | ||
coumarin 153 | coumarin 153: structure in first source | 7-aminocoumarins | fluorochrome |
berberrubine | berberrubine: RN refers to chloride salt; a protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity; structure in first source | ||
methyl fluorone black | methyl fluorone black: structure | ||
9-hydroxyphenylfluoron | |||
1,10-phenanthroline-5,6-dione | 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source | ||
rebeccamycin | rebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. rebeccamycin: from actinomycete strain C-38,383; structure given in first source | indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound | |
lobaric acid | lobaric acid: inhibits formation of leukotrienes C4, D4, and E4; also reduces muscle contraction; structure in first source | carbonyl compound | |
2-chloranil | |||
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | 1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride : A hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
dehydroleucodine | dehydroleucodine: has antimicrobial activity; RN given refers to (3aS-(3aalpha,9aalpha,9bbeta))-isomer | ||
ergocornine | ergocornine : Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. ergocornine: a component of ergotoxine; minor descriptor (75-86); on-line & INDEX MEDICUS search ERGOLINES (75-86); RN given refers to ((5'alpha)-isomer) | ergot alkaloid | |
maslinic acid | (2Alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid: from Luehea divaricata and Agrimonia eupatoria | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
n-benzylmaleimide | |||
4-aminopyrazolo(3,4-d)pyrimidine | 4-aminopyrazolo(3,4-d)pyrimidine: adenine analog which suppresses growth of E coli & Bacillus cereus; inhibits cell growth & purine biosynthesis in rat hepatoma | ||
2-(4-Morpholinyl)benzothiazole | benzothiazoles | ||
rivastigmine | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent | |
benzylphosphonic acid | benzenes | ||
beta-naphthyl phosphate | 2-naphthyl dihydrogen phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase. beta-naphthyl phosphate: substrate for bovine kidney acid phosphatase | aryl phosphate | chromogenic compound |
n,n'-2-phenylenedimaleimide | N,N'-2-phenylenedimaleimide: RN given refers to 2-phenylene-cpd | ||
2-butyl-6-(butylamino)-1h-benzo(de)isoquinoline-1,3(2h)-dione | |||
3-amino-1,2,4-benzotriazine | 3-amino-1,2,4-benzotriazine: structure given in first source | ||
altersolanol a | altersolanol A: isolated from fermentation product of fungus Alternaria porri(Ellis) Ciferri;RN given refers to (1R-(1alpha,2beta,3beta,4alpha))-isomer; structure given in first source | pentahydroxyanthraquinone | |
sennoside B | sennoside B : A member of the class of sennosides that is (9R,9'S)-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'. | oxo dicarboxylic acid; sennosides | |
7-ketocholesterol | 7-ketocholesterol : A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7. 7-ketocholesterol: inhibits uptake of cholesterol in rabbit aorta | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
9-hydroxyellipticine | 9-hydroxyellipticine : A organic heterotetracyclic compound that is ellipticine in which the hydrogen at position 9 has been replaced by a hydroxy group. 9-hydroxyellipticine: RN given refers to parent cpd | organic heterotetracyclic compound; organonitrogen heterocyclic compound | antineoplastic agent |
tarenflurbil | tarenflurbil: R-enantiomer of flurbiprofen but not a COX inhibitor; modulates NF-kB, gamma-secretase, amyloid beta-protein; | flurbiprofen | |
melanotan-ii | melanotan-II: synthetic cyclic heptapeptide, an analog of alpha-melanotropin (4,10); capable of stimulating melanin synthesis & promoting rapid tanning of skin; currently in trials for use in the prevention of sunlight-induced skin cancer | organic molecular entity | |
nsc-87877 | NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source | ||
corynanthine | Corynanthine: A stereoisomer of yohimbine. | yohimban alkaloid | |
uvaol | uvaol: from Vauquelinia corymbosa (Rosaceae) | triterpenoid | metabolite |
cholanic acid | 5beta-cholanic acids; cholanic acid | ||
Mexicanin I | sesquiterpene lactone | ||
trimethylphenylammonium iodide | |||
coumarin 7 | coumarin 7: structure in first source | ||
dehydroabietic acid | dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
cb 1837 | CB 1837: RN given refers to parent cpd; structure | ||
osajin | osajin: from Maclura pomifera | isoflavanones | |
9,10-phenanthrenequinone monoxime | 9,10-phenanthrenequinone monoxime: selective sensitive reagent for iron in environmental samples | ||
2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one | 2-(4-hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one : A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 6, 7, 8, and 4' respectively. | pentahydroxyflavone | |
nitrophenylgalactosides | 2-nitrophenyl beta-D-galactoside : A beta-D-galactoside having a 2-nitrophenyl substituent at the anomeric position. Nitrophenylgalactosides: Includes ortho-, meta-, and para-nitrophenylgalactosides. | beta-D-galactoside; C-nitro compound | chromogenic compound |
5-iodotubercidin | 7-iodotubercidin: inhibits Toxoplasma gondii adenosine kinase | organoiodine compound | |
adenosine-5'-carboxylic acid | purine nucleoside | ||
2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione | 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione: structure given in first source | ||
loliolide | loliolide: RN given refers to (6S-cis)-isomer | benzofurans | metabolite |
7-amino-4-trifluoromethylcoumarin | coumarin 151: structure in first source | 7-aminocoumarins | fluorochrome |
erythrodiol | diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol | plant metabolite | |
methyl mannoside, (alpha-d)-isomer | methyl alpha-D-mannoside : A methyl mannoside having alpha-configuration at the anomeric centre. methylmannoside: RN given refers to (D)-isomer; see also record for 3-O-methylmannose | alpha-D-mannoside; methyl mannoside | |
u 74006f | tirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedox | corticosteroid hormone | |
way 100635 | |||
indolactam v | indolactam V: only the (-)-isomer of indolactam V showed carcinogenic activity; structure given in first source | indoles | |
inositol-1,3,4,5-tetrakisphosphate | 1D-myo-inositol 1,3,4,5-tetrakisphosphate : A myo-inositol tetrakisphosphate having the four phosphates placed in the 1-, 3-, 4- and 5-positions. inositol-1,3,4,5-tetrakisphosphate: for cpd without numerical locants of phosphate groups, index INOSITOL PHOSPHATES | inositol phosphate | |
gr 127935 | GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration. GR 127935: a 5-HT 1D receptor antagonist | 1,2,4-oxadiazole; benzamides; N-alkylpiperazine; N-arylpiperazine | |
epicatechin gallate | (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
fingolimod hydrochloride | fingolimod hydrochloride : The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). Fingolimod Hydrochloride: A sphingosine-derivative and IMMUNOSUPPRESSIVE AGENT that blocks the migration and homing of LYMPHOCYTES to the CENTRAL NERVOUS SYSTEM through its action on SPHINGOSINE 1-PHOSPHATE RECEPTORS. It is used in the treatment of MULTIPLE SCLEROSIS. | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
dihydrocapsaicin | capsaicinoid | ||
6-chloro-2-(1-piperazinyl)pyrazine | N-arylpiperazine | ||
parthenolide | germacranolide | ||
homoorientin | homoorientin: isolated from Swertia japonica; structure given in first source | flavone C-glycoside; tetrahydroxyflavone | antineoplastic agent; radical scavenger |
ibuprofen, (r)-isomer | ibuprofen | ||
tanshinone | tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | abietane diterpenoid | anticoronaviral agent |
roemerine | roemerine: from root tubers of Stephania kwangsiensis H.S. Lo; RN given refers to (R)-isomer; synonym aporeine refers to (S)-isomer; structure in Merck Index, 9th ed, #779 | isoquinoline alkaloid | |
pramipexole | pramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively. Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME. | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
uh 301 | UH 301: structure given in first source | ||
sk&f 104078 | benzazepine | ||
celastrol | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite | |
phacidin | phacidin: fungal growth inhibitor from Potebniamyces balsamicola var. boycei; also active against bacteria | ||
imatinib mesylate | imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
mk 0663 | bipyridines; organochlorine compound; sulfone | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug | |
gefitinib | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist | |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | 3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
sk&f 86466 | benalfocin: RN & RR given from first source; RN not in Chemline 9/28/83; structure given in first source | benzazepine | |
tetrahydrocurcumin | tetrahydrocurcumin : A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds. | beta-diketone; diarylheptanoid; polyphenol | metabolite |
5'-iodoindirubin | 5'-iodoindirubin: structure given in first source | ||
3'-deamino-3'-hydroxydaunorubicin | 3'-deamino-3'-hydroxydaunorubicin: structure given in first source | ||
4'-amino-6-hydroxyflavone | 4'-amino-6-hydroxyflavone: a p53/56(lyn) inhibitor; structure given in first source | flavones | |
sk&f 104856 | SK&F 104856: structure given in first source | ||
lestaurtinib | indolocarbazole | ||
5,6-dihydroxy-1-(2-imidazolinyl)tetralin | 2-(5,6-dihydroxy-1,2,3,4-tetrahydro-1-naphthyl)imidazoline: structure given in first source; RN given refers to (R)-isomer; RN for compound without isomeric designation not available 8/88 | ||
ro 32-0432 | |||
sk&f 89748 | SK&F 89748: RN given refers to (+-)-isomer & is given in first source; RN not in Chemline 9/28/83; structure given in first source | ||
cyanidin | cyanidin 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-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
tamsulosin | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent | |
cki 7 | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide : A member of the class of isoquinolines that is isoquinoline-8-sulfonamide which is substituted by chlorine at position 5 and in which the sulfonamide nitrogen is substituted by a 2-aminoethyl group. It is an inhibitor of casein kinase I. N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide: casein kinase I inhibitor; structure given in first source | isoquinolines; organochlorine compound; primary amino compound; sulfonamide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
(hydroxy-2-naphthalenylmethyl)phosphonic acid | (hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source | ||
cercosporamide | cercosporamide : A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. cercosporamide: antineoplastic; RN refers to (S)-isomer | dibenzofurans; methyl ketone; monocarboxylic acid amide; polyphenol | antifungal agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite; phytotoxin |
cyclazosin | cyclazosin : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of furoic acid with the secondary amino group of 6,7-dimethoxy-2-[(4aR,8aS)-octahydroquinoxalin-1-yl]quinazolin-4-amine. cyclazosin: an alpha(1D)-adrenoceptor antagonist; structure given in first source; RN given for (cis)-isomer | aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative | adenosine A2A receptor antagonist |
sc 53116 | SC 53116: serotonin agonist; pyrrolizidine cpd but not alkaloid; structure given in first source | ||
gyrophoric acid | gyrophoric acid: a tridepside isolated from Parmelia nepalensis | carbonyl compound | |
3-octylthio-1,1,1-trifluoro-2-propanone | 3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase | ||
docetaxel anhydrous | docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER. | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
perifosine | ammonium betaine; phospholipid | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
rec 15-2739 | Rec 15-2739: an alpha-1 antagonist selective for the lower urinary tract; structure given in first source | ||
1,2-dioctanoylglycerol | 1,2-dioctanoyl-sn-glycerol : 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5. | 1,2-diacyl-sn-glycerol; dioctanoylglycerol | |
1-oxo-1,2,3,4-tetrahydroisoquinoline | 1-oxo-1,2,3,4-tetrahydroisoquinoline: structure given in first source | ||
ptk 787 | vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
vatalanib | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist | |
3,3',4,5'-tetrahydroxybibenzyl | 3,3',4,5'-tetrahydroxybibenzyl: from Cassia garrettiana; structure given in first source | ||
ruboxistaurin | ruboxistaurin: inhibits protein kinase C beta; structure in first source | ||
varespladib | aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor | |
canertinib dihydrochloride | |||
canertinib | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
birb 796 | aromatic ether; morpholines; naphthalenes; pyrazoles; ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator | |
schizandrin b | (+)-schisandrin B : An organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. | aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin | anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite |
7-octylindolactam v | 7-octylindolactam V: only (-)-isomer has carcinogenic activity | ||
sch 45752 | organic heterotricyclic compound; organooxygen compound | ||
oxidopamine hydrochloride | |||
cryptotanshinone | cryptotanshinone: from Salvia miltiorrhiza | abietane diterpenoid | anticoronaviral agent |
cyc 202 | seliciclib : 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-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
epiberberine | epiberberine: isolated in plants of Coptis from China | ||
nevadensin | nevadensin : A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4' and hydroxy groups at positions 5 and 7 respectively. nevadensin: from Lysionotus pauceflora Maxim; RN & N1 from 9th CI | dihydroxyflavone; trimethoxyflavone | plant metabolite |
8-(4-benzenesulfonylamino)quinoline | 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | ||
withanolide d | withanolide D : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. withanolide D: structure | 20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide | antineoplastic agent |
cochlioquinone a | cochlioquinone A: from Helminthosporium sativum; competitive inhibitor of ivermectin binding; RN from Chem Abstract Index Guide 1990; structure given in first source | oxanes | |
asenapine | (S,S)-asenapine : A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have S configuration. asenapine : A racemate consisting of equal amounts of (R,R)- and (S,S)-asenapine. Used as its maleate salt for the acute treatment of schizophrenia and acute treatment of manic or mixed episodes associated with bipolar I disorder with or without psychotic features. | 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole | |
frenolicin b | frenolicin B: produced by Streptomyces roseofulvus strain AM 3867; structure | benzoisochromanequinone; p-quinones | metabolite |
abanoquil | |||
tanshinone ii a | tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source | abietane diterpenoid | |
enniatin b | enniatin B : An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units. enniatins: cyclohexadepsipeptides containing valine, isoleucine & valeric acid from Fusarian; form complexes with cations & cellular membranes; there are at least three different enniatins H, B & C; minor descriptor (76-86); on-line & INDEX MEDICUS search PEPTIDES, CYCLIC (76-86); see also record for enniatin D, E, F | enniatin | antimicrobial agent |
3-fluoronorepinephrine | 3-fluoronorepinephrine: RN given refers to (+-)-isomer; RN for cpd without isomeric designation not in Chemline 8/83 | ||
1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine | 1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine: RN given refers to parent cpd | ||
rubschisandrin | rubschisandrin: isolated from kernels of Schisandra rubriflora; structure given in first source | tannin | |
sb 203580 | imidazoles; 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 | |
sb 216763 | indoles; maleimides | ||
enzastaurin | indoles; maleimides | ||
erlotinib | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor | |
erlotinib hydrochloride | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor | |
4'-o-methylepigallocatechin | 4'-methylepigallocatechin: antispasmodic from Maytenus rigida Mart (Celestraceae); structure in first source | catechin | metabolite |
ketoprofen | |||
nantenine, (+-)-isomer | |||
arnicolide d | arnicolide D: cytotoxic; from Centipeda minima L.; structure in first source | sesquiterpene lactone | |
fixb protein, e coli | alpha-D-mannose : D-Mannopyranose having alpha-configuration at the anomeric centre. alpha-D-mannoside : Any mannoside in which the anomeric centre has alpha-configuration. muscarinic toxin 2: muscarinic agonists from Dendroaspis angusticeps; amino acid sequence given in first source | D-mannopyranose | epitope |
santamarine | santamarin : A sesquiterpene lactone of the eudesmanolide group. santamarine: sesquiterpene derivative of costunolide | sesquiterpene lactone | |
nantenine | nantenine: from Nandina domestica Thundberg; RN given refers to (S)-isomer; structure given in first source | oxoaporphine alkaloid | metabolite |
latrepirdine | latrepirdine: structure | methylpyridines; pyridoindole | geroprotector |
diisooctyl phthalate | |||
tv3326 | indanes | ||
lapatinib | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor | |
eptapirone | eptapirone: 5-HT(1A) receptor agonist; structure in first source | N-arylpiperazine | |
bmy 7378 | |||
fipamezole | fipamezole: an alpha2 adrenergic antagonist | ||
sorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor | |
dabuzalgron | dabuzalgron : A sulfonamide that is N-phenylmethanesulfonamide which carries a chloro group at position 2, 4,5-dihydro-1H-imidazol-2-ylmethoxy group at position 5, and a methyl group at position 6. Its is a selective alpha-adrenoceptor agonist that is used in the treatment of urinary incontinence. dabuzalgron: an alpha(1A/1L)-adrenoceptor partial agonist; structure in first source | aromatic ether; imidazoles; monochlorobenzenes; sulfonamide | alpha-adrenergic agonist |
4-quinolone-3-carboxylic acid | 4-quinolone-3-carboxylic acid: structure in first source | ||
cholic acid | cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
estradiol 3-benzoate | 17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
4'-hydroxyflavone | 4'-hydroxyflavone: structure in first source | ||
nsc 36398 | NSC 36398: structure in first source | ||
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline | aromatic ether; substituted aniline | ||
2-hydroxyestradiol | 2-hydroxy-17beta-estradiol : A 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2. 2-hydroxyestradiol: catechol estrogen; RN given refers to (17 beta)-isomer | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
nsc 88915 | 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source | ||
nsc-89199 | estramustine phosphate : A steroid phosphate which is the 17-O-phospho derivative of estramustine. | carbamate ester; organochlorine compound; steroid phosphate | |
beta-thujone | (-)-alpha-thujone : The (1S,4R,5R)-stereoisomer of alpha-thujone. alpha-thujone : The rel-(1R,4S,5S)-stereoisomer of thujone. thujone : A thujane monoterpenoid that is thujane substituted by an oxo group at position 3. | alpha-thujone | |
nsc 95397 | 1,4-naphthoquinones | ||
1-phenyl-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one | chalcones | ||
withaferin a | withaferin A : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. withaferin A: an antiestrogen and phytogenic antineoplastic agent isolated from leaves of Withania somnifera Dun.; structure | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
2-(2,4-dichlorophenoxy)-N-(3-pyridinyl)acetamide | dichlorobenzene | ||
1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea | ureas | ||
2-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamide | ureas | ||
nsc228155 | |||
hematoxylin | haematoxylin | ||
rocaglamide | rocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
3',4',5'-trimethoxyflavone | 3',4',5'-trimethoxyflavone: structure in first source | ether; flavonoids | |
7-methoxycoumarin-4-acetic acid | monocarboxylic acid | fluorochrome | |
4-(2-Amino-1,3-thiazol-4-yl)phenol | phenols | ||
1,3(2h,4h)-isoquinolinedione | 1,3(2H,4H)-isoquinolinedione: structure in first source | ||
1-phenyl-3-methyl-4-benzoyl-5-pyrazolone | 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone: structure in first source | ||
4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid | trihydroxyanthraquinone | ||
paullone | paullone : An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. paullone: structure in first source | indolobenzazepine; lactam | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
nsc668394 | |||
bortezomib | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor | |
8-deoxygartanin | 8-deoxygartanin: a butyrylcholinesterase inhibitor; isolated from Garcinia mangostana; structure in first source | xanthones | |
aglafoline | aglafolin : A heterotricyclic compound based on a 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a and methoxy groups at C-6 and C-8. A platelet aggregation inhibitor found in Aglaia elliptifolia and Aglaia odorata. aglafoline: a platelet activating factor antagonist; structure given in first source; isolated from Aglaia elliptifolia | methyl ester; organic heterotricyclic compound | metabolite; platelet aggregation inhibitor |
rocaglaol | rocaglaol: a cytotoxic cyclopenta(b)benzofuran from the bark of Aglaia crassinervia; structure in first source | ||
meridianin g | meridianin G: from the tunicate Aplidium meridianum; structure in first source | ||
5-iodoindirubin-3'-monoxime | 5-iodoindirubin-3'-monoxime: inhibits GSK-3beta | ||
7-(4-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | methoxybenzenes | ||
nexavar | organosulfonate salt | ||
nsc 23766 | aminopyrimidine; aminoquinoline; primary amino compound; secondary amino compound; tertiary amino compound | antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist | |
n,n-dimethyldaunorubicin | |||
lithium chloride | lithium chloride : A metal chloride salt with a Li(+) counterion. Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator. | inorganic chloride; lithium salt | antimanic drug; geroprotector |
2H-pyrazolo[4,3-b]quinoxalin-3-amine | quinoxaline derivative | ||
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. | taxifolin | metabolite |
tosylphenylalanyl chloromethyl ketone | N-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 |
pelargonidin | pelargonidin : An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'. pelargonidin: influences flower phenotype | 5-hydroxyanthocyanidin | plant metabolite |
saquinavir | saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A. | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
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 | |
11alpha,13-dihydrohelenalin | sesquiterpene lactone | ||
hematoxylin | haematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology. | haematoxylin | |
doxorubicin hydrochloride | anthracycline | ||
2-(oxaloamino)benzoic acid | (oxaloamino)benzoic acid | ||
tretinoin | all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE). | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
arachidonic acid | arachidonate : 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 |
resveratrol | trans-resveratrol : A resveratrol in which the double bond has E configuration. | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
oleic acid | oleic 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 acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
okadaic acid | polycyclic ether | calcium ionophore; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; marine metabolite | |
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea | 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea : A member of the class of phenylureas that is urea which is substituted at position 1 by a 3-tert-butyl-1-methylpyrazol-5-yl group and at position 3 by a p-chlorophenyl group. | monochlorobenzenes; phenylureas; pyrazoles | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
pd 173955 | PD 173955: inhibits src family-selective tyrosine kinase; structure in first source | aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine | tyrosine kinase inhibitor |
pd 166326 | PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor | ||
t0901317 | T0901317: an LXRalpha and LXRbeta agonist | ||
hts 466284 | HTS 466284: a TGFbeta-RI inhibitor; structure in first source | pyrazoles; pyridines; quinolines | TGFbeta receptor antagonist |
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea | N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea: structure in first source | ||
y 27632 | Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. | aromatic amide | |
h 1152 | (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane. | isoquinolines; N-sulfonyldiazepane | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
adenosine-5'-(n-ethylcarboxamide) | Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group. | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
diethylstilbestrol | diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed) | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
7-n-butyl-6-(4'-hydroxyphenyl)-5h-pyrrolo(2,3b)pyrazine | |||
6-bromoindirubin-3'-oxime | 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. 6-bromoindirubin-3'-oxime: structure in first source | ||
purvalanol b | purvalanol B: protein kinase inhibitor; structure in first source | purvalanol | protein kinase inhibitor |
repsox | RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect | pyrazolopyridine | |
h 89 | (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration. N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor. | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
muramyl dipeptide | glycopeptide | immunological adjuvant | |
trimethylcolchicinic acid | |||
12-deoxyphorbol 13-acetate | phorbol ester | metabolite | |
visnadin | |||
purvalanol a | 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer; | purvalanol | |
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
pd 146626 | kb-NB165-09: inhibitor of protein kinase D; structure in first source | ||
(2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester | phenylalanine derivative; tert-butyl ester | ||
meso-dihydroguaiaretic acid | meso-dihydroguaiaretic acid : A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. | guaiacols; lignan | plant metabolite |
isoxanthohumol | isoxanthohumol: structure in first source | flavanones | |
IPA-3 | IPA-3 : An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. | naphthols; organic disulfide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
3-methoxycinnoline | cinnolines | ||
hei 713 | |||
2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline | 2-(1-piperazinyl)-4-amino-6,7-dimethoxyquinazoline: prazosin metabolite; RN given refers to parent cpd | ||
2,3-diphenyl-6-quinoxalinecarboxylic acid | quinoxaline derivative | ||
idarubicin hydrochloride | anthracycline | ||
2'-hydroxychalcone | 2'-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'. | chalcones; phenols | anti-inflammatory agent |
isoliquiritigenin | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist | |
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone | aromatic ketone | ||
xanthohumol | xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. xanthohumol: from hop plant, Humulus lupulus | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
dibenzylidene acetone | dibenzylidene acetone: structure in first source | ||
cardamonin | cardamonin: found in Zingiberaceae; structure in first source | chalcones | |
rauwolscine | Rauwolscine: A stereoisomer of yohimbine. | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
s 1033 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor | |
calmidazolium | calmidazolium chloride : The organic choride salt of calmidazolium. | organic chloride salt | apoptosis inducer; calmodulin antagonist |
6-amino-2-methyl-8-phenyl-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | aralkylamine | ||
3-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylpropanamide | benzoxazole | ||
3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione | oxopurine | ||
2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester | aryl sulfide | ||
4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile | phenols | ||
cefsulodin | cefsulodin : A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic. Cefsulodin: A pyridinium-substituted semisynthetic, broad-spectrum antibacterial used especially for Pseudomonas infections in debilitated patients. | cephalosporin; organosulfonic acid; primary carboxamide | antibacterial drug |
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide | sulfonamide | ||
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | alkylbenzene | ||
r 59949 | R 59949: diacylglycerol kinase inhibitor | diarylmethane | |
8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile | piperazines; pyridines | ||
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide | benzothiazine | ||
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine | aromatic ether | ||
2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
2-cyano-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester | quinoxaline derivative | ||
2-[5-[(2,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine | triazoles | ||
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester | quinoxaline derivative | ||
(4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone | aromatic ketone | ||
9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one | pyridopyrimidine | ||
(3aR,6aS)-3-(2-chlorophenyl)-5-(2,5-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione | pyrrolidines | ||
Glyceryl lactopalmitate | pyrazoles; ring assembly | ||
2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
5-(3-chlorophenyl)-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
7-chloro-5-(4-morpholinyl)-2,1,3-benzoxadiazol-4-amine | benzoxadiazole | ||
ag-213 | tyrphostin 47: inhibits protein-tyrosine kinase activity of EGF-R both in vitro and in living cells; | ||
3,3',4,5'-tetrahydroxystilbene | 3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide | thioureas | ||
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide | aromatic amide | ||
4-phenyl-N-(3-pyridinyl)-2-thiazolamine | aminopyridine | ||
n-phenyl-n'-2-pyridylthiourea | N-phenyl-N'-2-pyridylthiourea: structure in first source | ||
1-(2,4-dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazine | piperazines | ||
LSM-34582 | anthracenes | ||
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester | benzoate ester; phenols | ||
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one | pyrazoles; ring assembly | ||
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol | substituted aniline | ||
cid755673 | CID755673: a potent and selective inhibitor of protein kinase D; structure in first source | benzofurans | |
4-(2-furanylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione | triazoles | ||
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide | naphthalenecarboxamide | ||
[3-fluoro-4-(4-morpholinyl)phenyl]-(4-methylphenyl)methanone | benzophenones | ||
3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione | maleimides | ||
nq301 | NQ301: structure in first source | ||
1-[[(1-methyl-2-benzimidazolyl)amino]methyl]-2-naphthalenol | naphthols | ||
3-amino-4-(4-chlorophenyl)-6-cyclopropyl-2-thieno[2,3-b]pyridinecarbonitrile | phenylpyridine | ||
3-methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purine-2,6-dione | oxopurine | ||
2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid | benzamides | ||
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide | benzothiazoles | ||
2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrile | sulfonamide | ||
3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide | sulfonamide | ||
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione | cyclic ketone; indanones | ||
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide | sulfonamide | ||
2-anilinophenylacetic acid | 2-anilinophenylacetic acid: structure in first source | ||
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide | quinazolines | ||
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester | monocarboxylic acid | ||
4-acetamidobenzoic acid (2-chlorophenyl)methyl ester | amidobenzoic acid | ||
1-cyclohexyl-3-(3-ethylphenyl)urea | ureas | ||
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer | germacranolide | ||
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one | C-nitro compound | ||
N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]ethanamine | aryl sulfide | ||
3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one | quinolines | ||
1-(phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea | thioureas | ||
2-(2-ethoxyphenyl)-5,6-dimethyl-1,3-dihydroisoindole | isoindoles | ||
dieldrin | dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin. Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB) | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
curcumin | curcumin : 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 |
N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | aromatic amide | ||
1-(1-naphthalenylmethoxy)benzotriazole | naphthalenes | ||
umi-77 | UMI-77: an Mcl-1 inhibitor; structure in first source | ||
3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide | aromatic amide | ||
N-[(3-acetylanilino)-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamide | thioureas | ||
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester | aminoquinoline | ||
(4-anilino-1,1-dioxo-2H-1$l^{6},2-benzothiazin-3-yl)-phenylmethanone | benzothiazine | ||
1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamide | naphthalenecarboxamide | ||
N-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide | piperazines | ||
1-(4-methylphenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
[4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanone | piperazines | ||
3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide | aromatic amide | ||
N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide | aromatic amide; furans | ||
3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid | amidobenzoic acid | ||
(E)-4-Phenyl-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acid | thiophenecarboxylic acid | anticoronaviral agent | |
N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine | morpholines | ||
rhodanine | 2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure | thiazolidinone | |
5-(2,4-dichlorophenyl)-N-(4-methyl-2-thiazolyl)-2-furancarboxamide | dichlorobenzene | ||
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide | quinolines | ||
2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol | thiazolopyrimidine | ||
2',4',6'-Trihydroxydihydrochalcone | chalcones | ||
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone | methoxybenzenes; substituted aniline | ||
3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione | 3-(2-aminoethyl)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione: inhibits ERK1 and ERK2; structure in first source | ||
(4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide | sulfonamide | ||
1-[[4-(dimethylamino)phenyl]methyl]-1-(2-furanylmethyl)-3-(4-methoxyphenyl)thiourea | thioureas | ||
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
6,8-dimethyl-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-2-(2-pyridinyl)-4-quinolinecarboxamide | aromatic amide | ||
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide | benzamides | ||
2-[[[3-methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid | benzamides | ||
4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester | aromatic amide; isopropyl ester; secondary carboxamide | ||
1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morpholinyl)phenyl]thiourea | morpholines | ||
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide | aromatic ether | ||
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide | C-nitro compound | ||
N-cycloheptyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamide | amidobenzoic acid | ||
N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-chlorobenzenesulfonamide | aryl sulfide | ||
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | quinolines | ||
[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone | N-arylpiperazine | ||
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide | (trifluoromethyl)benzenes | ||
5-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole | thiazoles | ||
3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone | aryl sulfide | ||
3-phenyl-2H-1,4-benzoxazine | benzoxazine | ||
2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione | sulfonamide | ||
5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide | aromatic amide; furans | ||
3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamide | benzoic acids | ||
6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
N-[4-(4-fluorophenyl)-2-thiazolyl]-4-methylbenzenesulfonamide | sulfonamide | ||
enclomiphene | Enclomiphene: The trans or (E)-isomer of clomiphene. | ||
epalrestat | epalrestat : A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. | monocarboxylic acid; thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
npc 15199 | leucine derivative | ||
4-hydroxyphenylmethylene hydantoin | 4-hydroxyphenylmethylene hydantoin: isoalted from the Red Sea sponge Hemimycale arabica; structure in first source | ||
1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea | benzenes | ||
1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid | piperidines | ||
chlorogenic acid | caffeoylquinic acid: Antiviral Agent; structure in first source chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | cinnamate ester; tannin | food component; plant metabolite |
6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione | pyrazoles; ring assembly | ||
N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide | carbazoles | ||
xl147 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor | |
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide | quinoxaline derivative | ||
(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine | benzothiazoles | ||
3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester | phthalazines | ||
N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide | quinolines | ||
2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester | quinolines | ||
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone | aromatic ketone | ||
1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid | quinolines | ||
4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester | methoxybenzoic acid | ||
2,6-dichloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide | sulfonamide | ||
2-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(4-fluorophenyl)acetamide | aromatic ketone; quinolines | ||
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | morpholines; pyrimidone; secondary carboxamide; tertiary amino compound | ||
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide | pyrazoles; secondary carboxamide; trifluoroacetamide | ||
2-bromo-N-[3-(1-oxopentylamino)phenyl]benzamide | benzamides | ||
N-[4-(dibutylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide | sulfonamide | ||
N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester | carboxylic ester | ||
6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamide | quinolines | ||
N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide | amidobenzoic acid | ||
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | flavones; tert-butyl ester | ||
2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester | nitrobenzoic acid | ||
1-(3-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea | sulfonamide | ||
2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide | quinolines | ||
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide | aryl sulfide | ||
2-pyridin-4-yl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide | aromatic amide | ||
1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester | sulfonamide | ||
3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamide | sulfonamide | ||
(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester | depsipeptide | ||
2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | sulfonamide | ||
N-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | pyrazolopyrimidine | ||
[4-(2-ethoxyphenyl)-1-piperazinyl]-(1-oxido-4-pyridin-1-iumyl)methanone | piperazines | ||
N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine | pyrazoles; ring assembly | ||
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester | pyrazoles; ring assembly | ||
2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone | aromatic ketone | ||
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester | secondary carboxamide | ||
2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone | aryl sulfide | ||
N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide | quinoxaline derivative | ||
2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester | depsipeptide | ||
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester | carboxylic ester | ||
4-methyl-N'-(4-quinazolinyl)benzohydrazide | quinazolines | ||
2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester | benzamides | ||
4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinone | aromatic ketone | ||
N-[3-(4-morpholinyl)propyl]-3-(3-pyridinyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine | organonitrogen heterocyclic compound | ||
4-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide | benzamides | ||
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluorobenzamide | carbonyl compound; organohalogen compound | ||
3-(diethylsulfamoyl)-N-(3,5-dimethylphenyl)benzamide | benzamides | ||
thioguanine anhydrous | Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
Pregnenolone acetate | steroid ester | ||
2,4-Di(3-pyridyl)-1,3-thiazole | thiazoles | ||
2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile | nitrile; pyridines | ||
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide | naphthothiazole | ||
1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea | tetrazoles | ||
tamoxifen | stilbenoid; 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 | |
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one | pyrazoles | ||
3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile | biphenyls | ||
2-chloro-N-(7-methyl-9-oxo-2-thioxanthenyl)benzamide | thiochromane | ||
LSM-20838 | pyrazolopyrimidine | ||
2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester | sulfonamide | ||
cgp 74514a | |||
srpin340 | SRPIN340: Serine-Arginine-Rich Protein Kinase Inhibitor | ||
ssya10-001 | SSYA10-001: a helicase inhibitor with antiviral activity; structure in first source | ||
2-[[2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl]thio]acetic acid | alkylbenzene | ||
5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide | aromatic amide | ||
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(4-methylpiperazino)acetamide | amino acid amide | ||
3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one | dimethoxybenzene | ||
2-{5-[2-(Phenylthio)acetyl]-2-thienyl}acetic acid | aryl sulfide | ||
2-(2-furanyl)-4-thiazolidinecarboxylic acid | organonitrogen compound; organooxygen compound | ||
methyl-thiohydantoin-tryptophan | methyl-thiohydantoin-tryptophan: structure in first source | organonitrogen compound; organooxygen compound | |
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol | aromatic ether | ||
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol | phenothiazines | ||
N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide | sulfonamide | ||
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione | isoquinolines | ||
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone | olefinic compound | ||
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide | sulfonamide | ||
lch-7749944 | LCH-7749944: potent p21-activated kinase 4 inhibitor, structure in first source | ||
1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxyphenyl)urea | ureas | ||
4-fluoro-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzamide | (trifluoromethyl)benzenes | ||
1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone | aromatic ketone | ||
2-[[(4-chlorophenyl)thio]methyl]-5-methylimidazo[1,2-a]pyridine | imidazopyridine | ||
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide | aromatic amide; heteroarene | ||
N-[3-chloro-2-(1-piperidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide | benzamides | ||
5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamide | C-nitro compound | ||
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide | quinoxaline derivative | ||
u 0126 | U 0126: protein kinase kinase inhibitor; structure in first source | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
rwj 67657 | RWJ 67657: inhibits p38 mitogen-activated protein kinase; structure in first source | ||
1-(benzenesulfonyl)-2-benzimidazolamine | sulfonamide | ||
1-(4-nitrophenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
bms 387032 | N-(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 |
orlistat | orlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug. Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity. | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
mitragynine | monoterpenoid indole alkaloid | ||
sf 2370 | K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source | bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound | antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | 2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source | ||
sch 23390 | SCH 23390 : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8. SCH 23390: a selective D1-receptor antagonist | benzazepine | |
bp 897 | BP 897: a dopamine D3 receptor agonist; structure in first source | naphthalenecarboxamide | |
tandutinib | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
vx-745 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
safingol | safingol: RN given refers to the (R-(R*,S*))-isomer | amino alcohol | |
dasatinib | dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN). N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
ha 1100 | HA 1100: intracellular calcium antagonist | ||
7-epi-hydroxystaurosporine | |||
asterric acid | asterric acid: structure given in first source; inhibits the binding of endothelin-1 to the ET(A) receptor of A10 cells | ||
1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone | 1-(3-chloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone: structure given in first source; endogenous differentiation-inducing factor; induces stalk-cell differentiation in the cellular slime mold Dictyostelium discoideum | ||
zd 6474 | CH 331: structure in first source | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
sideroxylin | sideroxylin : A monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4' and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. sideroxylin: from Hydrastis canadensis; structure in first source | dihydroxyflavone; monomethoxyflavone | plant metabolite |
n-methylnandigerine | N-methylnandigerine: bioactive principle from the roots of Lindera megaphylla; RN given refers to (S)-isomer; RN for cpd without isomeric designation not avail 4/92; structure given in first source | ||
n-(2-naphthalene)sulfonyl-dl-tryptophan | |||
aldisine | |||
9-hydroxyiminofluorene-2,7-disulfonamide | fluorenes | ||
4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester | organonitrogen compound; organooxygen compound | ||
2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrile | thiazoles | ||
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine | C-nitro compound | ||
4-[[3-[(4-methylanilino)-oxomethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid | aromatic amide | ||
3-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide | sulfonamide | ||
N'-(9-acridinyl)-2-hydroxybenzohydrazide | acridines | ||
3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester | benzoate ester | ||
1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | pyrimidotriazine | ||
N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide | sulfonamide | ||
CID 3192987 | N-arylpiperazine | anticoronaviral agent | |
4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol | piperidines | ||
N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diamine | pyrimidines | ||
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(4-methyl-2-thiazolyl)acetamide | benzimidazoles | ||
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine | quinazolines | ||
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide | anilide | ||
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide | quinazolines | ||
LSM-18934 | monoterpenoid | ||
5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester | benzothiazoles | ||
N,N-diethyl-4-[[5-oxo-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzenesulfonamide | sulfonamide | ||
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | ||
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one | pyrrolopyridine | ||
N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide | sulfonamide | ||
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide | pyrrolidines | ||
N-cyclopentyl-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine | pyrimidines | ||
nsc 117199 | |||
2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide | naphthalenes | ||
3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide | fatty amide | ||
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester | C-nitro compound; thiophenes | ||
2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester | thiophenecarboxylic acid | ||
1-(6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea | thioureas | ||
N-(4-methoxyphenyl)-2-(N-methylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide | amino acid amide | ||
N-[4-(difluoromethoxy)phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamide | thioureas | ||
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile | C-nitro compound; furans | ||
gtp 14564 | pyrazoles; ring assembly | ||
2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide | sulfonamide | ||
2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-oxolanylmethyl)acetamide | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde | azaphilone | ||
1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol | indoles | anticoronaviral agent | |
1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea | sulfonamide | ||
rs 100329 | RS 100329: an alpha(1A)-adrenoceptor antagonist; structure in first source | piperazines | |
N-cycloheptyl-4-(2-oxolanylmethoxy)benzamide | benzamides | ||
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide | aromatic ketone | ||
2-methyl-5-[(4-phenyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol | piperazines | ||
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine | pyrroles | ||
2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl ester | benzoxazine | ||
6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamide | aromatic amide | ||
8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione | oxopurine | ||
1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea | tetralins | ||
3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione | aromatic ketone | ||
1-ethyl-3-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]thiourea | benzimidazoles | ||
4-(5-bromo-2-thiophenyl)-6-methyl-2-(1-pyrrolyl)pyrimidine | thiophenes | ||
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
3-benzoyl-1,5-bis(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione | pyrrolidines | ||
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | dimethoxybenzene | anticoronaviral agent | |
LSM-31277 | oxacycle | ||
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one | pyrazoles; ring assembly | ||
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide | aromatic ether; C-nitro compound | ||
1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazole | methoxybenzenes | anticoronaviral agent | |
or486 | OR486: structure given in first source | ||
rs 17053 | indoles | ||
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester | aromatic ketone | ||
N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide | quinolines | ||
3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | piperazines; pyrimido-indole | ||
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester | (trifluoromethyl)benzenes | ||
N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide | quinoxaline derivative | ||
a 61603 | A 61603: a potent alpha1-adrenergic receptor agonist; structure given in first source | tetralins | |
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide | piperazines | ||
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester | isoquinolines | ||
2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide | 1-benzopyran | ||
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide | quinoxaline derivative | ||
4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | benzenes | ||
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
4-(3,4-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazole-5-thione | triazoles | ||
sb 415286 | 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione: a glycogen synthase kinase-3 inhibitor; structure in first source | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one | pyrazoles; ring assembly | ||
1-(5-methyl-2-furanyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione | chromones | ||
6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid methyl ester | naphthyridine derivative | ||
5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-one | naphthalenes | ||
3-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4-thiazolidinone | dimethoxybenzene | ||
1-(5-nitro-2-thiophenyl)piperidine | C-nitro compound; thiophenes | ||
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline | C-nitro compound | ||
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide | anthraquinone | ||
le 300 | indoles | ||
pd 407824 | |||
2-furanyl-[4-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-thiophen-2-ylmethyl]-1-piperazinyl]methanone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one | imidazolidines | ||
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | benzodioxine; triazolothiadiazole | ||
N2,N6-bis[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide | aromatic amide | ||
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone | toluenes | anticoronaviral agent | |
2,6-difluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide | tetralins | ||
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
3-amino-4-[(4-chlorophenyl)thio]benzoic acid methyl ester | aryl sulfide | ||
N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamide | imidazolidine-2,4-dione | ||
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester | C-nitro compound; thiophenes | ||
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide | benzamides | ||
5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester | benzofurans | ||
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester | C-nitro compound; thiophenes | ||
2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | alpha-amino acid ester | ||
2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamide | benzoic acids | ||
3,7-dichloro-N-[3-(1-imidazolyl)propyl]-6-methoxy-1-benzothiophene-2-carboxamide | 1-benzothiophenes | ||
2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide | amino acid amide | ||
5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine | aminopyridine | ||
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester | alpha-amino acid ester | ||
2-(2',5'-dioxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-4,4'-imidazolidine]yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide | imidazolidine-2,4-dione | ||
alsterpaullone | alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole. alsterpaullone: structure in first source | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
3-[1-butyl-5-(diethylsulfamoyl)-2-benzimidazolyl]propanoic acid | benzimidazoles | ||
imd 0354 | N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source | benzamides | |
N-(4-methoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamide | naphthalenes | ||
2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]isoindole-1,3-dione | quinolines | ||
1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea | thioureas | ||
1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea | sulfonamide | ||
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone | furoic acid | ||
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylemine | pyrazolopyrimidine | tyrosine kinase inhibitor | |
5,6-dimethyl-1-octyl-4-benzimidazolamine | benzimidazoles | ||
4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamide | benzamides | ||
calceolarioside a | calceolarioside A: structure given in first source; isolated from Calceolaria hypericina; induces platelet aggregation | hydroxycinnamic acid | |
calceolarioside b | calceorioside B: a cardioprotective agent isolated from Akebia; structure in first source | hydroxycinnamic acid | metabolite |
sphingosine | 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4. sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds. | sphing-4-enine | human metabolite; mouse metabolite |
quercetin | 7-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 | |
bergaptol | 5-hydroxyfurocoumarin : A furanocoumarin which bears a hydroxy group at position 5. | 5-hydroxyfurocoumarin; psoralens | |
3,7-dimethoxy-5,3',4'-trihydroxyflavone | 3,7-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 |
arachidonyltrifluoromethane | AACOCF3 : A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group arachidonyltrifluoromethane: structure given in first source; inhibits 85-kDa phospholipase A2 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
acacetin | 5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant metabolite |
apigenin | Chamomile: 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. | trihydroxyflavone | antineoplastic agent; metabolite |
luteolin | 3'-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 | |
pinosylvin | pinosylvin: phytoalexin found in pine and eucalyptus | pinosylvin | |
quercitrin | alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite | |
scopoletin | hydroxycoumarin | plant growth regulator; plant metabolite | |
vomifoliol | (6S,9R)-vomifoliol : A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. blumenol A: a phytotoxin isolated from Oryza sativa Awaakamai; structure in first source vomifoliol : A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4. | (6S)-vomifoliol | metabolite; phytotoxin |
vitamin k semiquinone radical | vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase | ||
retinol palmitate | all-trans-retinyl palmitate : An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis. retinol palmitate: RN given refers to parent cpd; structure retinyl palmitate : A palmitate ester of retinol with undefined geometry about the C=C bonds. | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
luteolin-7-glucoside | luteolin 7-O-beta-D-glucoside : A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. luteolin-7-glucoside: has both antiasthmatic and antineoplastic activities; has 3C protease inhibitory activity; isolated from Ligustrum lucidum | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
gossypetin | gossypetin : A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. gossypetin: inhibits activity of penicillinase enzyme in E coli | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
chrysoeriol | 4',5,7-trihydroxy-3'-methoxyflavone : The 3'-O-methyl derivative of luteolin. chrysoeriol: isolated from leaves of Eurya japonica & E. emarginata | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
quercetin 3-o-methyl ether | 3',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 |
bryostatin 1 | acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist | |
vitamin d 2 | Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa. | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
quercetin 3-o-glucopyranoside | quercetin 3-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells quercetin 3-O-glucopyranoside: structure in first source | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
rutin | Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
kaempferol | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite | |
lipoxin a4 | lipoxin A4 : A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. lipoxin A4: an antifibrolytic agent; structure given in first source; a role in ASPIRIN antiinflammatory activity | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
harmine | harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's. | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
genistein | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor | |
montelukast | montelukast: a leukotriene D4 receptor antagonist | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
butein | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor | |
sulfuretin | sulfuretin: the chalcone C ring closes into a 5 instead of the more typical 6 membered ring leaving a phenyl methane at the 2 position instead of the typical phenyl | 1-benzofurans | |
daphnoretin | daphnoretin : A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. daphnoretin: isolated from the whole plant Wikstroemia indica | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
costunolide | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite | |
molephantinin | molephantinin: germacranolide from Elephantopus mollis; RN given refers to (3aR-(3aR*,4S*(E),6E,9Z,11S*,11aS*))-isomer; structure in first source | germacranolide | |
amentoflavone | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite | |
apigenin dimethylether | apigenin 7,4'-dimethyl ether : A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin. apigenin dimethylether: a dimethoxy analog of apigenin from roots of Rhus undulata and possibly other plants | dimethoxyflavone; monohydroxyflavone | plant metabolite |
baicalein | trihydroxyflavone | angiogenesis 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 | |
chrysin | chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
diosmetin | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent | |
fisetin | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite | |
genkwanin | genkwanin : A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. genkwanin: structure | dihydroxyflavone; monomethoxyflavone | metabolite |
hispidulin | hispidulin : A monomethoxyflavone that is scutellarein methylated at position 6. | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
gartanin | gartanin : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 8 and prenyl groups at positions 2 and 4. | polyphenol; xanthones | antineoplastic agent; plant metabolite |
mangostin | alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. mangostin: xanthone from rind of Garcinia mangostana Linn. fruit | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
3-methylquercetin | isorhamnetin : A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
norlichexanthone | norlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. norlichexanthone: isolated from fungus P16; structure in first source | polyphenol; xanthones | antimalarial; fungal metabolite |
kaempferide | kaempferide : A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. kaempferide: structure in first source | 7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone | antihypertensive agent; metabolite |
morin | morin : 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 |
morusin | morusin : An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. morusin: from Morus root bark; structure given in first source | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
myricetin | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite | |
myricitrin | myricitrin : A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity. myricitrin: isolated from root bark of Myrica cerifera L.; structure | alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
orientin | orientin : A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. orientin: structure given in first source; RN given refers to the (D-glucopyranosyl)-isomer | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
patuletin | patuletin : A trimethoxyflavone that is quercetagetin methylated at position 6. patuletin: structure given in first source; inhibits aldose reductase in rat lens | flavonols; monomethoxyflavone; pentahydroxyflavone | analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite |
wogonin | wogonin : 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 |
forsythiaside | forsythiaside: RN given refers to (E)-isomer; structure given in first source; from the unripe fruit of Forsythia suspensa (qinglianquiao) | hydroxycinnamic acid | |
caffeic acid phenethyl ester | phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
rosmarinic acid | (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. rosmarinic acid: RN given refers to parent cpd; promote OT project | rosmarinic acid | geroprotector; plant metabolite |
salvianolic acid a | salvianolic acid A: a nootropic depside from Salvia miltiorrhizia | stilbenoid | |
acteoside | acteoside : A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. acteoside: a protein kinase C inhibitor with hepatoprotective, anti-asthmatic, and analgesic activities; a phenylethanoid glycoside related to isoacteoside; from leaves of Lippia multiflora (Verbenaceae) | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
rottlerin | rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1); | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
ellagic acid | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent | |
3,3',4-o-trimethylellagic acid | 3,7,8-tri-O-methylellagic acid: structure given in first source | tannin | |
tectochrysin | tectochrysin : A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. tectochrysin: structure in first source | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
astragalin | kaempferol 3-O-beta-D-glucoside : A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. kaempferol-3-O-glucoside: isolated from the pit of Mahkota dewa; structure in first source | beta-D-glucoside; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone | plant metabolite; trypanocidal drug |
n-oleoyldopamine | N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist. N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
n,n-dimethylsphingenine | N,N-dimethylsphingosine : A sphingoid that is sphingosine in which the two amino hydrogens are replaced by methyl groups. N,N-dimethylsphingosine: a sphingosine kinase inhibitor | aminodiol; sphingoid; tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite |
4-hydroxychalcone | 4-hydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. 4-hydroxychalcone: structure in first source | chalcones; phenols | antihypertensive agent; plant metabolite |
menatetrenone | menaquinone-4 : A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
isotretinoin | isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases. Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects. | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
indocyanine green | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | ||
prostaglandin f2 methyl ester | prostaglandin F2 methyl ester: has ocular hypotensive effect; RN given refers to (5Z,9alpha,11alpha,13E,15S)-isomer | prostanoid | |
1-monooleoyl-rac-glycerol | 1-oleoylglycerol : A 1-monoglyceride where the acyl group is oleoyl. monooleoylglycerol : A monoglyceride in which the acyl group is oleoyl with the position of acylation unspecified. Peceol: lipid excipient containing readily dispersible mixture of mono- & diglycerides of oleic acid | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
astrogorgiadiol | astrogorgiadiol: structure in first source | sesquiterpenoid | |
cyclosporine | ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
phenoxybenzamine hydrochloride | organic molecular entity | ||
acitretin | acitretin : A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. Acitretin: An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of ETRETINATE with the advantage of a much shorter half-life when compared with etretinate. | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
estropipate | estropipate: used therapeutically in menopausal patients | piperazinium salt; steroid sulfate | |
vitamin k 1 | phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity. | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
sirolimus | sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties. | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
3',4',7-trihydroxyisoflavone | 3',4',7-trihydroxyisoflavone : A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. 3',4',7-trihydroxyisoflavone: from Streptomyces sp OH-1049; structure given in first source | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
ophiocordin | azepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin) | ||
alvocidib | alvocidib : 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 |
fenretinide | 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids. Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent. | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
aftin-4 | aftin-4: increases production of amyloid-beta protein (1-42) | ||
su 5402 | SU 5402: structure given in first source SU5402 : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. | ||
su 9516 | |||
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide | N-alkylpyrrolidine | ||
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone | isoquinolines | ||
2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester | aromatic amide | ||
1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide | 1,3-oxazoles | ||
N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide | piperazines | ||
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide | piperidines | ||
5-[(4-methoxyphenyl)sulfonylmethyl]-N-(3-methoxypropyl)-2-furancarboxamide | sulfonamide | ||
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide | triazoles | ||
5-amino-1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamide | aromatic amide | ||
6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinone | piperazines | ||
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide | sulfonamide | ||
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinone | triazoles | ||
pd 180970 | PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source | ||
l 745870 | 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first source | piperazines | |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | DAPT : A dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. A gamma-secretase inhibitor. | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
cgp 77675 | CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source | ||
pd 166285 | |||
cl 316243 | disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate: structure given in first source | ||
kn 93 | KN 93: reduces dopamine content in PC12h cells KN-93 : A sulfonamide resulting from the formal condensation of p-methoxybenzenesulfonic acid with the anilino nitrogen of 2-(aminomethyl)-N-(2-hydroxyethyl)aniline in which the hydrogens of the primary amino group have been replaced by methyl and p-chlorocinnamyl groups. KN-93 is a selective inhibitor of Ca(2+)/calmodulin-dependent protein kinase II. | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
silodosin | silodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first source | indolecarboxamide | |
su 6656 | SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase. | ||
sb 258719 | |||
sb 271046 | SB 271046: 5-HT(6) receptor antagonist; structure in first source | ||
eupatin | eupatin : A trimethoxyflavone that is quercetagetin methylated at positions 4', 6 and 7. | flavonols; trihydroxyflavone; trimethoxyflavone | |
ombuine | ombuin : A dimethoxyflavone that is quercetin in which the hydroxy groups at positions 7 and 4' are replaced by methoxy groups. Isolated from Cyperus teneriffae, it exhibits anti-inflammatory activity. ombuine: from rhizome of Alpinia tonkinensis | dimethoxyflavone; flavonols; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
salazinic acid | salazinic acid: lichen metabolite; structure in first source | ||
5,7-dihydroxy-4',6-dimethoxyflavone | 5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C. pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. | dihydroxyflavone; dimethoxyflavone | plant metabolite |
4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid | quinolines | ||
granulatimide | granulatimide: minor alkaloids of the Brazilian ascidian Didemnum; structure in first source | ||
casein kinase ii | Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression. | ||
arcyriaflavin a | arcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first source | indolocarbazole | |
pd 089828 | PD 089828: structure in first source | ||
pd 166866 | PD 166866: structure in first source PD-166866 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM. | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pd 161570 | PD 161570: structure in first source | ||
pd-173952 | |||
ag 538 | AG 538: an IGF-1 receptor kinase inhibitor; structure in first source | ||
ag 99 | tyrphostin A46: epidermal growth factor-urogastrone receptor antagonist | ||
tyrphostin ag 555 | |||
tyrphostin ag-494 | AG 494: tyrphostin that blocks Cdk2 activation; structure in first source | ||
ag 556 | AG 556: structure given in first source | ||
ag-490 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor | |
ag 183 | AG 183: structure given in first source | ||
bosutinib | 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
semaxinib | semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group. | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
orantinib | orantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. orantinib: an antiangiogenic agent | ||
su 11248 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist | |
su 11652 | SU 11652: a tyrosine kinase inhibitor; amino acid sequence in first source SU11652 : A member of the class of pyrrolecarboxamides obtained by formal condensation of the carboxy group of 5-[(Z)-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic acid with the primary amino group of N(1),N(1)-diethylethane-1,2-diamine. | olefinic compound; organochlorine compound; oxindoles; pyrrolecarboxamide; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor |
n,n'-dimethyl-n,n'-bis(mercaptoacetyl)hydrazine | N,N'-dimethyl-N,N'-bis(mercaptoacetyl)hydrazine: used to reduce disulfide bonds; structure in first source | ||
m475271 | AZM475271: a Src family kinase inhibitor | ||
palbociclib | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | |
d-64406 | D-64406: structure in first source | indolyl carboxylic acid | |
jnj-7706621 | sulfonamide | ||
7-hydroxycoumarin-4-acetic acid | 7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source | ||
fosbretabulin | stilbenoid | ||
sulindac sulfide | sulindac sulfide : An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. sulindac sulfide: sulfated analog of indomethacin & inhibitor of prostaglandin synthesis in vitro; RN given refers to cpd without isomeric designation; structure given in first source | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
4-amylcinnamoylanthranilic acid | 4-amylcinnamoylanthranilic acid: phospholipase A2 inhibitor N-(p-amylcinnamoyl)anthranilic acid : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 4-pentylcinnamoyl group. It is a transient receptor potential (TRP) channel blocker and phospholipase A2 (PLA2) inhibitor. | amidobenzoic acid; cinnamamides; secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker |
bay 11-7082 | (E)-3-tosylacrylonitrile : A nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells. | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
3-(4-octadecyl)benzoylacrylic acid | |||
5,7-dihydroxy-4-methylcoumarin | hydroxycoumarin | ||
furanoheliangolide | furanoheliangolide: structure in first source | ||
2-amino-6-chloropurine | 6-chloroguanine : An organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. 6-chloroguanine: an antimalarial that inhibits hypoxanthine-guanine-xanthine phosphoribosyltransferase; structure in first source | 2-aminopurines; organochlorine compound | |
cefixime | cephalosporin | antibacterial drug; drug allergen | |
jaceosidin | jaceosidin : A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
3,4',5-trimethoxystilbene | 3,4',5-trimethoxystilbene: structure in first source | ||
5,4'-dihydroxy-7,3'-dimethoxyflavone | 5,4'-dihydroxy-7,3'-dimethoxyflavone: has anti-inflammatory activity; isolated from acai, Euterpe oleracea; structure in first source velutin : A dimethoxyflavone that is luteolin in which the hydroxy groups at positions 7 and 3' are replaced by methoxy groups. | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
artepillin c | artepillin C: RN refers to (E)-isomer | ||
sulindac sulfone | sulindac sulfone : A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. sulindac sulfone: inhibits K-ras-dependent cyclooxygenase-2; sulfated analog of indomethacin;; CP248 is an antineoplastic agent that fosters microtubule depolymerization; structure in first source | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
thunberginol b | thunberginol B: isolated from Hydrangeae dulcis folium; structure given in first source | ||
l 685458 | L 685458: a gamma-secretase inhibitor; structure in first source L-685,458 : A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere, 2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease. | carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic |
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one | 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively. 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor | organic heterotetracyclic compound; organofluorine compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
vx680 | N-arylpiperazine | ||
beta-Mangostin | xanthones | ||
9-Hydroxycalabaxanthone | xanthones | ||
nylidrin hydrochloride | alkylbenzene | ||
phentolamine | |||
quinaldine red | quinaldine red: amphiphilic in cationic form; RN given refers to iodide; structure | ||
2-(dimethylaminostyryl)-1-ethylpyridinium | cyanine dye; organic iodide salt | ||
4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-one | pyridazines; ring assembly | ||
chloride of pseudoisocyanine | 1,1'-diethyl-2,2'-cyanine halide; organic chloride salt | ||
3',4'-dihydroxyaurone | 3',4'-dihydroxyaurone : A hydroxyaurone that is aurone which is substituted by hydroxy groups at the 3' and 4' positions; major species at pH 7.3. It shows inhibitory activity against several isoforms of the histone deacetylase complex (HDAC). | catechols; hydroxyaurone | EC 3.5.1.98 (histone deacetylase) inhibitor |
gw-5074 | |||
su 4984 | |||
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone | piperazines; pyridines | ||
tyrphostin ag825 | tyrphostin AG 825 : An organic sulfide that consists of 1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an epidermal growth factor receptor antagonist. tyrphostin AG825: a tyrphostin of the benzylidene malononitrile family; an erbB2 antagonist | aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide | epidermal growth factor receptor antagonist |
flavokawain C | flavokawain C: antineoplastic from roots of Kava (Piper methysticum Forst); structure in first source | chalcones | |
oroidin | oroidin: from marine sponges of the genus Agelas; structure in first source | pyrroles; secondary carboxamide | metabolite |
2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide | 2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source | ||
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone | aromatic ketone | ||
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-(3-methylphenyl)acetamide | anilide | ||
N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine | morpholines | ||
ml 3403 | |||
d 4476 | imidazoles | ||
GSK3-XIII | GSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups. | aromatic amine; pyrazoles; quinazolines; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
hesperidin | flavonoids; glycoside | ||
cyc 116 | 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source | ||
lasalocid sodium | lasalocid sodium : The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry. | benzoates; organic sodium salt | coccidiostat; ionophore |
sclerotiorin | sclerotiorin: isolated from monoverticillate Penicillia; RN given for (R-(R*,S*-(E,E)))-isomer; structure in first source | azaphilone | |
rehmannic acid | rehmannic acid: toxic principle, triterpene acid from Lantana camara; RN given refers to (22beta-(Z))-isomer; structure | ||
manoalide | manoalide : A sesterterpenoid isolated from the marine sponge Luffariella variabilis and which has been shown to exhibit inhibitory activity towards phospholipase A2. manoalide: phospholipase A2 inhibitor; sesterterpene from marine sponge L. variabilis; structure given in first source | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
3-o-methylbutein | 3-O-methylbutein: RN given refers to (E)-isomer; structure given in first source | chalcones | |
chaetoglobosin A | cytochalasan alkaloid; epoxide; indoles; macrocycle; secondary alpha-hydroxy ketone | Chaetomium metabolite | |
manoalogue | manoalogue: synthetic analog of manoalide; phospholipase A2 antagonist; structure given in first source | ||
caftaric acid | hydroxycinnamic acid | ||
goniothalamin | goniothalamin: has antineoplastic activity; structure given in first source | ||
kolavenic acid | kolavenic acid: from Polyalthia longifolia; structure given in first source; RN given refers to (1S-(1alpha(E),2beta,4abeta,8aalpha))-isomer; RN for cpd without isomeric designation not avail 3/92 | ||
stemphone | stemphone: structure given in first source | ||
everolimus | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor | |
perflubron | demethylxanthohumol: an apoptosis-inducing agent from hops; structure in first source desmethylxanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'. | 2-acyl-4-prenylphloroglucinol; chalcones | plant metabolite |
trk 820 | TRK 820: structure in first source | phenanthrenes | |
ekb 569 | EKB 569: an EGF receptor kinase inhibitor | aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile | protein kinase inhibitor |
fomene | |||
axitinib | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist | |
su 4312 | SU4312 : A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. | ||
1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea | ureas | ||
hylin | |||
N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamide | aromatic amide | ||
tanespimycin | CP 127374: analog of herbimycin A | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
manzamine a | manzamine 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 |
aurone | aurones; cyclic ketone | ||
1-azakenpaullone | 1-azakenpaullone : An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively. | lactam; organic heterotetracyclic compound; organobromine compound; organonitrogen heterocyclic compound | EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole | aryl sulfide | ||
a 419259 | |||
gdp 366 | GDP 366: an antineoplastic agent; structure in first source | ||
b 43 | RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively). | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
gw2974 | GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2 | pyridopyrimidine | |
ro 25-6981 | Ro 25-6981 : A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor. Ro 25-6981: blocks NMDA receptors containg NR2B subunit; structure in first source | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
sb 269970 | SB 269970: a 5-HT(7) antagonist; structure in first source | sulfonamide | |
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine | imidazoles | ||
2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester | naphthalenes; sulfonic acid derivative | ||
2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid | acridines | ||
(2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide | indoles | ||
cgp 53353 | 4,5-bis(4-fluoroanilino)phthalimide: structure in first source | phthalimides | |
sk&f-38393 | (R)-SKF 38393 : A 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the R-enantiomer of SKF 38393. | 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | |
dexniguldipine | niguldipine: structure given in first source; clinical modulator of multidrug resistance | diarylmethane | |
temsirolimus | macrolide lactam | ||
vilazodone | vilazodone : A 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder. | 1-benzofurans; indoles; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; nitrile | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
pd 184352 | 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source | aminobenzoic acid | |
bibx 1382bs | BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001 | substituted aniline | |
n-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide | N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide: structure in first source | ||
6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5h)-one | 6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one: a GABA-A alpha5 receptor inverse agonist; structure in first source | ||
pep005 | 3-ingenyl angelate: protein kinase C agonist and antineoplastic; structure in first source | ||
on 01910 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
corosolic acid | triterpenoid | metabolite | |
13-epi-sclareol | 13-epi-sclareol: an unusual labdane diterpene from the roots of Coleus forskohlii with cell growth inhibitory action in breast and uterine cancers in vitro; structure in first source | ||
N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide | pyridazines; ring assembly | ||
n-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide | N-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide: a KCC2 cotransporter antagonist | pyridazines; ring assembly | |
a 770041 | aromatic amide | ||
sl 327 | SL 327: a MEK inhibitor SL-327 : A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2. | ||
tws 119 | pyrroles | ||
krn 633 | N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source | ||
((3z)-n-(3-chlorophenyl)-3-((3,5-dimethyl-4-((4-methylpiperazin-1-yl)carbonyl)-1h-pyrrol-2-yl)methylene)-n-methyl-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide) | sulfonamide | ||
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone | benzamides; N-acylpiperidine | ||
c 1368 | |||
4-[[[4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | benzothiazine | ||
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine | imidazoles | ||
6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide | pyrazolopyrimidine | ||
vacuolin-1 | vacuolin-1: inhibits Ca2-dependent lysosomal exocytosis | ||
3,4,4'-trihydroxy-trans-stilbene | |||
vk 19911 | |||
jnj 10198409 | |||
[4-(2-amino-4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone | benzophenones | ||
mk 0752 | |||
n-demethylloperamide | desmethyl loperamide : A monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid. N-demethylloperamide: loperamide metabolite; structure in first source | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | drug metabolite |
av 412 | |||
telatinib | |||
edotecarin | |||
y-39983 | Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first source | pyrrolopyridine | |
cp 547632 | 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source | ||
bms345541 | 4(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first source | quinoxaline derivative | |
6-methylsulfinylhexyl isothiocyanate | 6-(Methylsulfinyl)hexyl isothiocyanate: showed a dose-dependent inhibition of LPS-induced nitric oxide (NO), iNOS mRNA and protein. | sulfoxide | |
rwj 68354 | |||
spc-839 | SPC-839: an inhibitor of activator protein 1; structure in first source | ||
lenvatinib | lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
gw843682x | (trifluoromethyl)benzenes | ||
pd 0325901 | mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer). | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
midostaurin | midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
abt 866 | ABT 866: an alpha1-adrenoceptor ligand; structure in first source | ||
brl 37344 | BRL 37344: SB 206606 is the (R,R)-isomer | monocarboxylic acid | |
ly 450139 | peptide | ||
ursodoxicoltaurine | tauroursodeoxycholate : An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. tauroursodeoxycholic acid : A bile acid taurine conjugate derived from ursoodeoxycholic acid. | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
px-866 | PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine. PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source | acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
ki23057 | Ki23057: K-samII/FGF-R2 phosphorylation inhibitor for treatment of scirrhous gastric cancer; structure in first source | ||
sb-505124 | SB 505124 : A member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively. | benzodioxole; imidazoles; methylpyridines | TGFbeta receptor antagonist |
gw 6604 | 2-phenyl-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine: inhibits the receptor ALK5; structure in first source | ||
sb258741 | |||
sb 242235 | SB 242235: p38 MAP kinase antagonist | ||
ripasudil | isoquinolines | ||
fr 148083 | 5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
LL-Z1640-1 | macrolide; resorcinols | metabolite | |
sd 0006 | SD 0006: a p38 kinase inhibitor; structure in first source SD-06 : A member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively. | monochlorobenzenes; N-acylpiperidine; primary alcohol; pyrazoles; pyrimidines | |
osi 930 | OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | aromatic amide | |
cgp 74588 | CGP 74588: a metabolite of STI-571; structure in first source | benzamides | |
ki 20227 | |||
scio-469 | SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004 talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
ro 70-0004 | |||
cp 724714 | 2-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
qx-314 bromide | |||
(S)-fluoxetine hydrochloride | (S)-fluoxetine hydrochloride : A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid. | hydrochloride | antidepressant; serotonin uptake inhibitor |
pi103 | PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
sb 210313 | |||
3,5-bis(2-fluorobenzylidene)piperidin-4-one | 3,5-bis(2-fluorobenzylidene)piperidin-4-one: an antineoplastic agent; structure in first source | ||
10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone | DMP 543: neurotransmitter release enhancer; structure given in first source | anthracenes | |
fauc 346 | FAUC 346: a D3 dopamine receptor antagonist; structure in first source | ||
hmn-214 | (E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source | ||
ct52923 | CT52923: structure in first source | ||
y 27632, dihydrochloride, (4(r)-trans)-isomer | |||
2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide | 2-((aminocarbonyl)amino)-5-(4-fluorophenyl)-3-thiophenecarboxamide: an IKK-2 kinase inhibitor; structure in first source | aromatic amide; thiophenes | |
4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one | 4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one: structure in first source | ||
pnu 96415e | piperazines | ||
sp 100030 | N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide: transcription factor inhibitor specific to T-cells | ||
tivozanib | N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source | aromatic ether | |
indoxam | indoxam: structure in first source | ||
hki 272 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor | |
bms-470539 | BMS-470539: a selective small molecule agonist of the melanocortin-1 receptor inhibits lipopolysaccharide-induced cytokine accumulation and leukocyte infiltration in mice; structure in first source | ||
lissamine rhodamine b | lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion. | organic sodium salt | fluorescent probe; fluorochrome; histological dye |
es-285 | 1-deoxysphinganine : A bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen. spisulosine: from marine organism, Spisula polynyma; structure in first source | amino alcohol; sphingoid | antineoplastic agent |
tofacitinib | tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis. | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide | |||
hypothemycin | hypothemycin : A macrolide that is isolated from the cultured broth of Hypomyces subiculosus and shows antifungal activity and inhibits the growth of some human cancer cells. hypothemycin: a resorcylic acid lactone antibiotic; antifungal metabolite from Hypomyces trichothecoides | aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone | antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite |
cediranib | aromatic ether | ||
n-(4-((4-(dimethylamino)quinazolin-2-yl)amino)cyclohexyl)-3,4-difluorobenzamide hydrochloride | |||
tae226 | TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source | morpholines | |
ap23464 | AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases | ||
bremelanotide | bremelanotide: a synthetic peptide analogue of alpha-MSH, is an agonist at melanocortin receptors including the MC3R and MC4R, which are expressed primarily in the central nervous system; | oligopeptide | |
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | |||
ps1145 | PS1145: IkappaB kinase inhibitor; structure in first source | beta-carbolines | |
tak-715 | N-(4-(2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide: anti-rheumatoid arthritis agent; structure in first source | benzamides | |
chir 99021 | CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively. Chir 99021: structure in first source | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
ym 201636 | 6-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide: an antiviral agent; structure in first source | aromatic amide | |
1-(2-cyano-3,12-dioxooleana-1,9-dien-28-oyl) imidazole | |||
bryostatin 10 | bryostatin 10: isolated from Bugula neritina; structure in first source | ||
vortioxetine | vortioxetine : An N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder. Vortioxetine: A piperazine derivative that acts as a serotonin reuptake inhibitor, as a 5-HT3 receptor antagonist, and 5-HT1A receptor agonist. It is used for the treatment of anxiety and depression. | aryl sulfide; N-arylpiperazine | antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist |
sb 525334 | 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor | quinoxaline derivative | |
tirotundin | tirotundin: structure in first source | ||
cumambrin b | cumambrin B: RN given for (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-isomer; isolated from Chrysanthemum boreale; structure in first source | ||
chf 5074 | 1-(3',4'-dichloro-2-fluoro(1,1'-biphenyl)-4-yl)cyclopropanecarboxylic acid: a beta-amyloid(1-42) lowering agent; structure in first source | ||
chamissonolide | chamissonolide: structure given in first source | ||
osu 03012 | OSU 03012: a PDK-1 inhibitor; structure in first source | antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
sb-656104-a | SB-656104-A: structure in first source | ||
ly2090314 | LY-2090314 : A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. | diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
leucettamine b | leucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source | ||
masitinib | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor | |
bx795 | BX795: structure in first source | ureas | |
ly-2157299 | LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
tert-butyl peroxybenzoate | |||
snap 6201 | |||
pazopanib | pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer. pazopanib: a protein kinase inhibitor | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
azd 6244 | AZD 6244: a MEK inhibitor | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
su 14813 | 5-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source | ||
azd2858 | aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide | antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator | |
a 443654 | A 443654: an Akt kinase inhibitor; structure in first source | indoles | |
apilimod | |||
bibw 2992 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor | |
bay 61-3606 | pyrimidines | ||
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline. | 1,3,4-oxadiazoles; benzamides; biphenyls; nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
gw 799388 | 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide: a TGF type I receptor antagonist; structure in first source | ||
77-lh-28-1 | 77-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source | ||
9-hydroxycanthin-6-one | 9-hydroxycanthin-6-one : An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 9. Isolated from the roots of Eurycoma longifolia, it exhibits antineoplastic activity. 9-hydroxycanthin-6-one: from Eurycoma longifolia Jack (Simaroubaceae), induces penile erection and delays ejaculation | ||
pik 75 | PIK 75: structure in first source | ||
fauc 365 | FAUC 365: a dopamine D3 receptor antagonist; structure in first source | ||
binimetinib | binimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib. | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sotrastaurin | sotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients. sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
aee 788 | AEE 788: structure in first source | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
garcinone e | garcinone E: has potent cytotoxic effect against hepatocellular carcinoma cell lines; structure in first source | xanthones | |
saracatinib | aromatic 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 | |
sd-208 | |||
vx 702 | VX 702: a p38 MAP kinase inhibitor | phenylpyridine | |
Cycloartobiloxanthone | cycloartobiloxanthone: a flavonoid isolated from stem bark of Artocarpus gomezianus; has antineoplastic properties | pyranoxanthones | |
crenolanib | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
fauc 113 | |||
ps 540446 | |||
biapigenin | biapigenin: bis-apigenin coupled at 3' & 3' positions; inhibits various cytochrome P450 enzymes; isolated from St. John's Wort | flavonoid oligomer | |
meridianin a | meridianin A: structure in first source | ||
tg100-115 | 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first source | pteridines | |
cc 401 | CC 401: an anthrapyrazolone | pyrazoles; ring assembly | |
ly 411575 | dibenzoazepine; difluorobenzene; lactam; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor | |
bms 599626 | |||
exel-7647 | tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. | ||
sl0101 | SL0101: p90 Ribosomal S6 Kinase; structure in first source | ||
volasertib | BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source | ||
pha 665752 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
acetyl-histidyl-phenylalanyl-arginyl-tryptophanamide | |||
l 783277 | |||
bryostatin 16 | bryostatin 16: from Bugula neritina; structure given in first source | ||
4'-demethylamino-4'-hydroxystaurosporine | 4'-demethylamino-4'-hydroxystaurosporine: structure given in first source; produced by Streptomyces sp. RK-286 | ||
ly 338522 | LY 338522: des-methyl metabolite of LY333531; structure in first source | ||
PDGF receptor tyrosine kinase inhibitor III | PDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
baci-im | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent | |
ucn 1028 c | calphostin C: structure given in first source; isolated from Cladosporium cladosporioides | ||
ac-his-dphe-arg-trp-nh2 | |||
azd 7762 | aromatic amide; thiophenes | ||
bx 517 | BX 517: a phosphoinositide-dependent kinase-1 inhibitor; structure in first source | ||
regorafenib | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor | |
at 7867 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | |
ym 155 | sepantronium bromide : An organic bromide salt consisting of sepantronium cations and bromide anions. It has been found to selectively inhibit survivin (BIRC5) gene promoter activity and to down-regulate survivin in vitro, so leading to induction of apoptosis. | organic bromide salt | antineoplastic agent; apoptosis inducer; survivin suppressant |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | methoxybenzenes; substituted aniline | ||
brivanib | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist | |
zm 252868 | PD-153035 hydrochloride : A hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid. | hydrochloride | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
4-(2-((1r)-1-(((4-chlorophenyl)sulfonyl)-2,5-difluoroanilino)ethyl)-5-fluorophenyl)butanoic acid | sulfonamide | ||
begacestat | |||
mp470 | N-arylpiperazine | ||
rgb 286638 | |||
np 031112 | tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. tideglusib: an NSAID and neuroprotective agent | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
ki 8751 | N-(2,4-difluorophenyl)-N'-(4-((6,7-dimethoxy-4-quinolyl)oxy)-2-fluorophenyl)urea: structure in first source | aromatic ether | |
at 7519 | 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
bms-690514 | |||
bi 2536 | |||
N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide | (trifluoromethyl)benzenes | ||
4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide | biphenyls | ||
inno-406 | biaryl | ||
compound 26 | |||
r 1487 | |||
nvp-ast487 | NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells | ||
Dihydrotanshinone I | dihydrotanshinone I: extracted from Radix Salviae | abietane diterpenoid | anticoronaviral agent |
6-hydroxy-7-methoxychroman-2-carboxylic acid phenylamide | 6-hydroxy-7-methoxychroman-2-carboxylic acid phenylamide: structure in first souce | ||
kw 2449 | KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source | ||
nutlin-3a | nutlin 3: an MDM2 antagonist; structure in first source | stilbenoid | |
danusertib | piperazines | ||
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide | benzamides | ||
nvp-aew541 | |||
abt 869 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
azd 8931 | sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. | aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
fr 180204 | FR 180204: structure in first source | pyrazoles; ring assembly | |
arq 197 | indoles | ||
azd 1152 | AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
pf 00299804 | dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. dacomitinib: a pan-ERBB inhibitor | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
azd2932 | AZD2932: structure in first source | ||
snap7941 | SNAP7941: structure in first source | ||
ridaforolimus | macrolide lactam | ||
dorsomorphin | dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling. dorsomorphin: an AMPK inhibitor | aromatic ether; piperidines; pyrazolopyrimidine; pyridines | bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
plx647 | |||
ch 4987655 | |||
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide | phenylpyridine | ||
lapatinib ditosylate | quinazolines | ||
e 2012 | |||
mrk 560 | MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source | ||
cc-930 | |||
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine : A pyrazolylpiperidine that consists of 4-(pyrazol-1-yl)piperidine carrying a 2-amino-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-5-yl group at the 4-position of the pyrazole ring. rac-crizotinib : A racemate comprising equimolar amounts of (R)- and (S)-crizotinib. The active (R)-enantiomer acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer. | aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pf 573228 | 6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first source | quinolines | |
gw 2580 | 5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source | ||
tak 285 | N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source | ||
incb3619 | INCB3619: ADAM inhibitor; structure in first source | ||
idelalisib | idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib | crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC) Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile | benzimidazoles | ||
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide | Vx-11e: ERK1-2 inhibitor | aromatic amide; heteroarene | |
osi 906 | cyclobutanes; quinolines | ||
cgp 57380 | CGP 57380: inhibits the mitogen-activated protein kinase-interacting kinase Mnk1 | pyrazolopyrimidine | |
4-cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamide | aromatic amide | ||
ly2109761 | |||
chir-265 | aromatic ether | ||
motesanib | pyridinecarboxamide | ||
fostamatinib | fostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406 | ||
chromazonarol | |||
in 1130 | 3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: an activin receptor-like kinase-5 inhibitor; structure in first source | ||
jnj 28312141 | |||
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine | PF-670462 free base : A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon). | aminopyrimidine; imidazoles; monofluorobenzenes | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
trametinib | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector | |
mln8054 | benzazepine | ||
pf-562,271 | indoles | ||
pha 767491 | PHA 767491: a Cdc7 inhibitor; structure in first source | pyrrolopyridine | |
GDC-0879 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor | |
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide | ureas | ||
silvestrol | silvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. silvestrol: isolated from the fruit and twig of Aglaia silvestris | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
sesone | 7-deazaxanthine: structure in first source | ||
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | 5-(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 |
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) ester | piperazines | ||
jnj-26483327 | JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010 | ||
ly2603618 | ureas | ||
calcimycin | Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | benzoxazole | |
2-hydroxyapomorphine, (r)-isomer | |||
4-iodoclonidine | |||
N-[5-[2-(5-chloro-2-methylanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide | thiazoles | ||
tg100801 | |||
dactolisib | dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment. dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
bgt226 | BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor. BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor. | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
rm-493 | setmelanotide: an anti-obesity agent | ||
sc1 compound | |||
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid : A pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa. alphitolic acid: from the aerial parts of Gouania longipetala; structure in first source | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
[5-Chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] ethanoate | azaphilone | ||
2-diethylaminoethyl 4-nitrobenzoate hydrochloride | |||
(3E,9E)-5,6-Dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione | cytochalasin | fungal metabolite | |
dehydrocurvularin | macrolide | ||
hypocrellin a | hypocrellin A: isolated from fungus Hypocrella bambusae sacc | ||
malyngamide A | dicarboximide | metabolite | |
3,6-diamino-10-methylacridinium chloride hydrochloride | 3,6-diamino-10-methylacridinium chloride.HCl : A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. | hydrochloride | antibacterial agent; antiseptic drug; carcinogenic agent; intercalator |
lantadene b | lantadene B: RN given refers to the (22beta)-isomer; from Lantana camara | ||
3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide | organochlorine compound | ||
microcolin a | microcolin A: structure given in first source; isolated from the blue-green alga Lyngbya majuscula | ||
[4-(diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone | diarylmethane | ||
gsk 461364 | GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1 | (trifluoromethyl)benzenes | |
azd 1152-hqpa | AZD2811: has antineoplastic activity; structure in first source | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide | anilide | ||
nvp-tae684 | piperidines | ||
a 803467 | A 803467: an Nav1.8 sodium channel blocker; structure in first source | ||
enmd 2076 | ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities | ||
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine | quinazolines | ||
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide | aminopyrimidine; benzamides | protein kinase inhibitor | |
mf63 compound | MF63 compound: a phenanthrene imidazole identified as a potent, selective, and orally active mPGES-1 inhibitor; structure in first source | ||
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide | 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source | ||
gsk 269962a | |||
sb 772077-b | |||
e 7050 | aromatic ether | ||
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone | pyrazolopyridine | ||
tak-901 | |||
tannins | gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). | tannin | |
alpha-msh | peptide hormone | anti-inflammatory agent | |
msh, 4-nle-7-phe-alpha- | polypeptide | dermatologic drug | |
5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione | benzenes | ||
2-[4-[(6-ethoxy-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol | quinolines | ||
GS4012 | GS4012 : A hydrochloride obtained by combining the free base of GS4012 with one molar equivalent of hydrochloric acid. | hydrochloride; pyridinium salt | VEGF activator |
1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea | piperazines; pyridines | ||
7-methyltryptamine hydrochloride | |||
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-3-pyrrolo[3,4-d]pyridazinyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide | anilide | ||
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester | leucine derivative; tert-butyl ester | ||
(2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester | secondary carboxamide; tert-butyl ester | ||
(2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid (phenylmethyl) ester | leucine derivative | ||
quercetin | |||
pamapimod | pamapimod : A member of the class of pyridopyrimidines that is 8-methylpyrido[2,3-d]pyrimidin-7(8H)-one carrying additional (1,5-dihydroxypentan-3-yl)amino and 2,4-difluorophenoxy substituents at positions 2 and 6 respectively. It is a potent inhibitor of MAPK and is used for treatment of rheumatoid arthritis. | aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound | antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
gdc-0973 | cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. cobimetinib: has antineoplastic activity; structure in first source | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
[5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone | aromatic carboxylic acid; pyridinemonocarboxylic acid | ||
5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide | pyrimidinecarboxamide | ||
buparlisib | NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
azd 1480 | |||
famitinib | famitinib: structure in first source | ||
azd8330 | pyridinecarboxamide | ||
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside | O-acyl carbohydrate | ||
pha 848125 | N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor | ||
ro5126766 | CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. RO5126766: a dual MEK/RAF kinase inhibitor | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
tg101209 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
fedratinib | fedratinib: a selective small-molecule inhibitor of JAK2 | sulfonamide | |
gsk690693 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor | |
sp 203 | 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source | ||
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene | 14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source | ||
6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde | dihydroxybenzaldehyde; polyketide | ||
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamide | benzamides | ||
4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester | aromatic amide; tert-butyl ester | ||
nvp-bhg712 | benzamides | ||
azd5438 | sulfonamide | ||
nsc 23766 | NSC 23766 trihydrochloride : A hydrochloride resulting from the formal reaction of NSC 23766 with 3 mol eq. of hydrogen chloride. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). Rac1 inhibitor : Any inhibitor of Rac1. | hydrochloride | antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist |
1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea | monoterpenoid | ||
gsk 1004723 | GSK 1004723: structure in first source | ||
cct 128930 | |||
pf 04217903 | quinolines | ||
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile | pyrrolopyrimidine | ||
gdc 0941 | pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. | indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide | aromatic ketone | ||
achalensolide | achalensolide: structure in first source | ||
icotinib | |||
ph 797804 | PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine. PH 797804: an NSAID; structure in first source | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
2-(4-fluorophenyl)-1,2-benzothiazol-3-one | benzothiazoles | ||
kx-01 | |||
4'-epichaetoviridin A | 4'-epichaetoviridin A : An azaphilone that is the 4'-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum. | azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol | Chaetomium metabolite |
montelukast sodium | organic sodium salt | ||
cyclic amp, monosodium salt | |||
calcium dobesilate monopotassium salt | potassium dobesilate: for topical treatment of actinic keratoses | ||
acid blue 129 | |||
cortisol succinate, sodium salt | hydrocortisone hemisuccinate: RN given refers to (11beta)-isomer; Synonyms Solu-Cortef & sopolcort H refer to Na salt | organic molecular entity | |
cym51010 | CYM51010: structure in first source | ||
plx 4720 | PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
N-[5-Ethyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride | N-acyl-amino acid | anticoronaviral agent | |
N-[5-Bromo-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride | N-acyl-amino acid | anticoronaviral agent | |
mk 5108 | aromatic ether | ||
cx 4945 | |||
cudc 101 | 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source | ||
N-[5-Fluoro-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydron;chloride | N-acyl-amino acid | anticoronaviral agent | |
amg 458 | 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met inhibitor; structure in first source | ||
arry-614 | pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein | ||
tak 593 | TAK 593: structure in first source | ||
mln 8237 | MLN 8237: an aurora kinase A inhibitor | benzazepine | |
sgx 523 | aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine | c-Met tyrosine kinase inhibitor; nephrotoxic agent | |
bms 754807 | BMS 754807: an IGR-1R kinase inhibitor; structure in first source | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
gdc-0068 | ipatasertib: an Akt kinase inhibitor; structure in first source | N-arylpiperazine | |
bms 777607 | N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source | aromatic amide | |
sgi 1776 | SGI 1776: a Pim kinase inhibitor; structure in first source | imidazoles | |
pci 32765 | ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. ibrutinib: a Btk protein inhibitor | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
ponatinib | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor | |
amg 900 | N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source | ||
(3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester | organonitrogen compound; organooxygen compound | ||
(5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine | substituted aniline | ||
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively. | benzamides; biphenyls; cyclopropanes; dicarboxylic acid diamide | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
mk-1775 | adavosertib: a Wee1 kinase inhibitor; structure in first source | piperazines | |
cgi 1746 | CGI 1746: inhibits Bruton's protein kinase (Btk); structure in first source | ||
AMG-208 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor | |
sch772984 | biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide | analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | |
quizartinib | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor | |
PP121 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor | |
at13148 | |||
tak 733 | |||
mk 2206 | MK 2206: a protein kinase inhibitor and antineoplastic agent | organic heterotricyclic compound | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
sns 314 | SNS 314: an aurora kinase inhibitor; structure in first source | ureas | |
gsk 650394 | phenylpyridine | ||
bi d1870 | |||
lucitanib | E-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine. E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
pf-04691502 | |||
al8697 | |||
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis. N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
dcc-2036 | rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines | tyrosine kinase inhibitor |
cep 26401 | pyridazines; ring assembly | ||
az 960 | |||
cabozantinib | cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. cabozantinib: a multikinase inhibitor | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
defactinib | |||
ly2584702 | |||
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide | benzamides | ||
bs 194 | |||
incb-018424 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | |
poziotinib | HM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric cancer | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
asp3026 | ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
entrectinib | entrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
sch 1473759 | SCH 1473759: an antineoplastic agent and aurora inhibitor | ||
pexidartinib | pexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT). pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
TAK-580 | MLN 2480: brain-penetrant RAF dimer antagonist TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
gsk 2126458 | omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. omipalisib: inhibitor of mTOR protein | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
emd1214063 | tepotinib: MET inhibitor | ||
gsk 1838705a | organonitrogen compound; organooxygen compound | ||
ldn 193189 | LDN 193189: inhibits bone morphogenetic protein signaling | pyrimidines | |
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol | piperidines | ||
(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine | WAY-262611: a wingless beta-catenin agonist; structure in first source | naphthalenes | |
3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione | 3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione: inhibits GSK-3beta; structure in first source | maleimides; organonitrogen compound; organooxygen compound | |
pf 3758309 | PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
gdc 0834 | |||
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-azetidinyl]methyl]-2,6-difluorobenzenesulfonamide | sulfonamide | ||
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-pyrrolidinyl]-2,6-difluorobenzenesulfonamide | sulfonamide | ||
gdc 0980 | |||
3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1h-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid | 3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid: an SHP2 inhibitor; structure in first source | ||
azd2014 | vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source | ||
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
LSM-27979 | pyrrolidines | ||
plx4032 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor | |
gsk 1363089 | GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source | aromatic ether | |
arry-334543 | ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source | ||
kin-193 | pyridopyrimidine | ||
mk 2461 | |||
6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine | quinazolines | ||
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine | quinazolines | ||
4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine | biphenyls; thienopyrimidine | ||
5-(1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine | aryl sulfide; thienopyrimidine | ||
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrile | aminoquinoline | ||
bay 869766 | |||
as 703026 | pyridinecarboxamide | ||
1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea | ureas | ||
baricitinib | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent | |
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester | WYE-354: an mTOR inhibitor; structure in first source | carbamate ester | |
1-(4-methoxyphenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
5,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-benzimidazolamine | sulfonamide | ||
pht 427 | 4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide: an antineoplastic agent; structure in first source | ||
2-bromo-6-[(2,4-difluorophenyl)methyl]-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
debromoaplysiatoxin | debromoaplysiatoxin : A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs. debromoaplysiatoxin: sea algae toxin from lyngbya majuscula.; structure | aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
centratherin | centratherin: from Eremanthus eriopus (Asteraceae); structure in first source | ||
manzamine e | manzamine E: from an Indonesian Acanthostrongylophora sponge with activity against infectious, tropical parasitic, and Alzheimer's diseases; structure in first source | ||
1, 3-di-(n-carboxybenzoyl-leucyl-leucyl)amino acetone | 1, 3-di-(N-carboxybenzoyl-leucyl-leucyl)amino acetone: structure in first source | ||
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide | hydroxyquinoline | ||
p505-15 | |||
dabrafenib | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor | |
mrt67307 | MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source | aromatic amine | |
nitd 609 | NITD 609: an antimalarial and coccidiostat; structure in first source | ||
pki 587 | gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source | ||
2,3-dihydro-3beta-O-sulfate withaferin A | 2,3-dihydro-3beta-O-sulfate withaferin A : A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
2-((r-5-chloro-4-methoxymethylindan-1-yl)-1h-imidazole) | |||
4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide | 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide: a protein kinase inhibitor; structure in first source | ||
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | merestinib: in phase I clinical trials (2013); structure in first source | ||
thiopental sodium | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor | |
pf 3644022 | |||
ribociclib | ribociclib: inhibits both CDK4 and CDK6 | ||
oclacitinib | |||
bml 258 | |||
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-one | aromatic ketone | ||
Mps1-IN-2 | piperidines | ||
mk-8033 | 1-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source | ||
kb-nb142-70 | kb-NB142-70: inhibitor of protein kinase D; structure in first source | ||
skepinone-l | skepinone-L: a dibenzosuberone-type p38 MAPK inhibitor; structure in first source | ||
3-(6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenol | 3-(6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenol: inhibits ALK2 protein; structure in first source | ||
blz 945 | |||
pha 793887 | piperidinecarboxamide | ||
abt-348 | ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source | ||
tak-632 | TAK-632 : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively. | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
ly2784544 | pyridazines | ||
gsk 2334470 | GSK 2334470: a PDK1 inhibitor; structure in first source | indazoles | |
sb 1518 | |||
abemaciclib | |||
pf 3084014 | nirogacestat : A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment. nirogacestat: an antineoplastic agent | ||
mk-8776 | |||
nvp-bsk805 | |||
afuresertib | amphetamines | ||
xmd 8-92 | XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway. | pyrimidobenzodiazepine | protein kinase inhibitor |
lrrk2-in1 | LRRK2-IN1: inhibits leucine-rich repeat kinase 2; structure in first source | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
hh-gv678 | flumatinib: an antineoplastic agent and tyrosine kinase inhibitor | ||
gsk143 | GSK143: a Syk kinase inhibitor; structure in first source | ||
3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1h-imidazol-2-yl)methyl)benzamide | 3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzamide: a selective activin receptor-like kinase-5 inhibitor | ||
bms 708163 | BMS 708163: structure in first source | oxadiazole; ring assembly | |
arry-371797 | ARRY-371797: a p38 MAP kinase inhibitor | ||
gsk 1070916 | GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activity | pyrazoles; ring assembly | |
rn486 | RN486: a selective Bruton's tyrosine kinase inhibitor | ||
jnj38877605 | quinolines | ||
dinaciclib | pyrazolopyrimidine | ||
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]-3-pyridinecarboxamide | benzimidazoles | ||
nms p937 | NMS P937: a polo-like kinase 1 inhibitor; structure in first source | ||
gilteritinib | gilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
alectinib | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | |
longdaysin | |||
glpg0634 | |||
nms-p118 | NMS-P118: a PARP-1 inhibitor; structure in first source | ||
nimorazole | |||
ro 4929097 | dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound | EC 3.4.23.46 (memapsin 2) inhibitor | |
n,n-diallyl-5-methoxytryptamine | N,N-diallyl-5-methoxytryptamine: structure in first source | tryptamines | |
delgocitinib | delgocitinib : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan. delgocitinib: a Janus kinase inhibitor | azaspiro compound; N-acylazetidine; nitrile; pyrrolopyrimidine; tertiary amino compound; tertiary carboxamide | anti-inflammatory drug; antipsoriatic; antiseborrheic; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
encorafenib | encorafenib: a BRAF inhibitor | ||
bms-911543 | N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source | ||
DMH1 | DMH1 : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine bearing quinolin-4-yl and 4-isopropyloxyphenyl substituents at positions 3 and 6 respectively. | aromatic ether; pyrazolopyrimidine; quinolines | antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor |
gsk2141795 | GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source | ||
torin 2 | torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
sphaeropsidin a | sphaeropsidin A: main phytotoxin produced by Diplodia cupressi; structure in first source | gamma-lactone | metabolite |
azd8186 | |||
jnj 40418677 | |||
bix 02565 | |||
(r)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1h-pyrazolo(4,3-c)quinoline | (R)-4-cyclopropyl-7,8-difluoro-5-(4-(trifluoromethyl)phenylsulfonyl)-4,5-dihydro-1H-pyrazolo(4,3-c)quinoline: gamma secretase inhibitor; structure in first source | ||
pf 956980 | PF 956980: structure in first source PF-956980 : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a methyl[(3R,4R)-4-methyl-1-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]nitrilo group. It is a potent JAK3-selective chemical probe. | N-acylpiperidine; N-acylpyrrolidine; pyrrolopyrimidine; tertiary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
incb039110 | INCB039110: a JAK1 inhibitor; structure in first source | ||
chir 98014 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator | |
gsk2656157 | biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor | |
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine | 7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine: inhibits protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK); structure in first source | ||
oxytetracycline, anhydrous | oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions. | ||
dicumarol | Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
lfm a13 | LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties. | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
N-(2-aminophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide | aromatic amide | ||
methacycline monohydrochloride | |||
a 769662 | biphenyls | ||
palinurin | palinurin: an NSAID with antibacterial activity; isolated from Ircinia species; structure in firs t source | ||
urmc-099 | URMC-099: inhibits mixed lineage kinase 3 | ||
ew-7197 | vactosertib: a TGF-beta type I receptor kinase inhibitor with antifibrotic and antineoplastic activities; structure in first source | ||
on123300 | ON123300: a protein kinase inhibitor; structure in first source | ||
byl719 | proline derivative | ||
ent-crizotinib | ent-crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that is the (S)-enantiomer of crizotinib. | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | |
cep-32496 | agerafenib: inhibitor of RAF family kinases; structure in first source | ||
apy0201 | APY0201: a small molecular IL-12/23 inhibitor with pyrazolo[1,5-a]pyrimidine core; structure in first source | ||
nsc751382 | |||
cep-28122 | CEP-28122: inhibits anaplastic lymphoma kinase; structure in first source | ||
rociletinib | rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | ||
cep 33779 | |||
ceritinib | ceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. ceritinib: an anaplastic lymphoma kinase inhibitor | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
4-[[9-[(3R)-3-oxolanyl]-8-(2,4,6-trifluoroanilino)-2-purinyl]amino]-1-cyclohexanol | purines | ||
MK-8353 | MK-8353 : A member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors. MK-8353: ERK inhibitor used in oncology | aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
azd1208 | |||
gne-7915 | |||
HG-10-102-01 | HG-10-102-01 : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). HG-10-102-01: a PET radiotracer that targets LRRK2 protein; structure in first source | aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cc-292 | spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source | ||
vx-509 | |||
vx-970 | berzosertib: an ATR kinase inhibitor | sulfonamide | |
gs-9973 | |||
ldn-212854 | |||
debio 1347 | CH5183284: a fibroblast growth factor receptor antagonist; structure in first source | ||
pf-543 | PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first source | sulfonamide | |
vx-787 | pimodivir: non‐nucleotide inhibitor of the polymerase basic protein 2 (PB2) subunit of the influenza A that is active against H1N1, H7N9 and H5N1, as well as influenza A strains with reduced susceptibility to NAIs | ||
frax486 | |||
gsk2578215a | GSK2578215A: an inhibitor of LRRK2 kinase; structure in first source | ||
volitinib | |||
gne-0877 | 2-methyl-2-(3-methyl-4-((4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)propanenitrile: a leucine-rich repeat kinase 2 (LRRK2) inhibitor; structure in first source | ||
chr-6494 | |||
frax597 | FRAX597: structure in first source | ||
acp-196 | acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
rome | (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol : A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor. Rome: The capital city of Italy. | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
osimertinib | osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. osimertinib: an EGFR tyrosine kinase inhibitor | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
bmx-in-1 | BMX-IN-1: a BMX tyrosine kinase inhibitor; structure in first source | ||
ly3009120 | LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. LY3009120: a pan-RAF inhibitor; structure in first source | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
pf-06463922 | lorlatinib : A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. lorlatinib: inhibits both anaplastic lymphoma kinase and c-ros oncogene 1 (ROS1) protein | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
9-(1-methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone | naphthyridine derivative | ||
pf-06447475 | |||
unc2025 | UNC2025: inhibits both MER and FLT3 kinases; structure in first source | ||
gne-9605 | |||
CCT251545 | CCT251545 : A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. CCT251545: a Wnt signaling inhibitor; structure in first source | azaspiro compound; chloropyridine; pyrazoles | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor |
azd3759 | |||
MLI-2 | MLI-2 : A member of the class of indazoles that is 1H-indazole that is substituted at position 3 by a 6-(cis-2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl group and at position 5 by a (1-methylcyclopropoxy)group. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). | aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
hg-9-91-01 | HG-9-91-01 : A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. HG-9-91-01: inhibits salt-inducible kinases; structure in first source | aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound | antineoplastic agent; salt-inducible kinase 2 inhibitor |
prn694 | PRN694: an inhibitor of both interleukin-2-inducible T-cell kinase and resting lymphocyte kinase; structure in first source | ||
mmi-0100 | MMI-0100: inhibits MAPKAP kinase 2 | ||
at 9283 | |||
otssp167 | OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity | ||
akt-i-1,2 compound | Akt-I-1,2 compound: an aminopeptidase P inhibitor; structure in first source | ||
chir 258 | |||
osi 027 | OSI 027: inhibits both mTORC1 and mTORC2; structure in first source | ||
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one) | leucettine L41 : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 muM, respectively). | benzodioxoles; imidazolone; substituted aniline | autophagy inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.12.1 (dual-specificity kinase) inhibitor; neuroprotective agent; nootropic agent |
diguanosine tetraphosphate | P(1),P(4)-bis(5'-guanosyl) tetraphosphate : A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions. | guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate | Escherichia coli metabolite; mouse metabolite |
clozapine | clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent. | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
olanzapine | olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4. Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy. | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
raltitrexed | N-acyl-amino acid | ||
ro 3306 | RO 3306: structure in first source | ||
hematein | hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10. hematein: structure | ||
4-hydroxyquinazoline | 4-oxo-3,4-dihydroquinazoline: structure in first source | quinazolines | |
hymenialdisine | |||
1,4-Dihydrothieno[3,2-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
isogranulatimide | isogranulatimide: G2 checkpoint inhibitor; structure in first source | ||
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol | pyrazoles; ring assembly | ||
ag-879 | AG-879: structure given in first source | ||
N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide | sulfonamide | ||
hesperadin | |||
nintedanib | nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. | ||
7-bromoindirubin-3'-oxime | 7-bromoindirubin-3'-oxime: has mild protein kinase inhibitory activity; induces caspase-independent cell death; structure in first source | ||
lomofungin | lomofungin: antibiotic obtained from Streptomyces species; reported effective against bacteria as well as fungi & yeasts; probably inhibits nucleic acid & protein synthesis; minor descriptor (76-85); on-line & Index Medicus search PHENAZINES (76-85) | ||
7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | ||
pyridoxal 4-methoxybenzoyl hydrazone | pyridoxal 4-methoxybenzoyl hydrazone: structure given in first source | ||
bms 536924 | BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source | ||
2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one | substituted aniline | ||
debromohymenialdisine | |||
N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanamide | aromatic ketone | ||
hydrazinocurcumin | hydrazinocurcumin : 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 |
nbi 31772 | NBI 31772: an insulin-like growth factor-binding protein ligand; structure in first source NBI-31772 : An isoquinoline substituted by 3,4-dihydroxybenzoyl, carboxy, hydroxy, and hydroxy groups at positions 1, 3, 6, and 7, respectively. It is a potent inhibitor of insulin-like growth factor-1 binding protein (IGFBP). | aromatic ketone; benzenediols; hydroxy monocarboxylic acid; isoquinolines; tetrol | insulin-like growth factor-binding protein inhibitor |
4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester | benzoate ester | ||
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | 2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile: structure in first source AZD1080 : A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued). | hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor |
bay 80-6946 | copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies. copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source | ||
pp242 | torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
nms-e973 | NMS-E973: structure in first source | ||
bix 02189 | |||
s-1530 | |||
as1940477 | |||
crt 0066101 | CRT 0066101: protein kinase D inhibitor with antineoplastic activity |