Drug Information

Drug General Information
Drug ID
D0Y1HN
Former ID
DIB018712
Drug Name
A192621
Synonyms
A-192621; A 192621
Drug Type
Small molecular drug
Indication Discovery agent Investigative [538616]
Structure
Download
2D MOL
Formula
C33H38N2O6
InChI
InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
InChIKey
LQEHCKYYIXQEBM-FUKIBTTHSA-N
PubChem Compound ID
5310991
PubChem Substance ID
7978619, 11056192, 14886266, 14910836, 39340724, 53076375, 53788953, 57359313, 103349868, 103980744, 114154992, 128525714, 135282124, 135649870, 137059509, 141514901, 172649638, 198937369, 227281424
Target and Pathway
Target(s) Endothelin B receptor Target Info Antagonist [525580]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Melanogenesis
Pathways in cancer
PANTHER Pathway Endothelin signaling pathway
Pathway Interaction Database Endothelins
Arf6 trafficking events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
References
Ref 538616(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1009).
Ref 525580Pyrrolidine-3-carboxylic acids as endothelin antagonists. 4. Side chain conformational restriction leads to ET(B) selectivity. J Med Chem. 1999 Sep 9;42(18):3668-78.

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