Drug Information

Drug General Information
Drug ID
D0M1BF
Former ID
DIB020887
Drug Name
S6716
Synonyms
3-amidinobenzylindole carboxamide 23
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539370]
Structure
Download
2D MOL
Formula
C29H26N4O
InChI
InChI=1S/C29H26N4O/c1-19-7-4-14-26-25(19)16-27(33(26)18-20-8-5-11-22(15-20)28(30)31)29(34)32-17-23-12-6-10-21-9-2-3-13-24(21)23/h2-16H,17-18H2,1H3,(H3,30,31)(H,32,34)
InChIKey
IDKGPACCMPKKQB-UHFFFAOYSA-N
PubChem Compound ID
9803617
PubChem Substance ID
14759680, 24111961, 44839614, 46514218, 76501196, 85209278, 103305563, 135650973, 244297795
Target and Pathway
Target(s) Urotensin II receptor Target Info Antagonist [526316]
KEGG Pathway Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 539370(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: 2163).
Ref 526316Identification of nonpeptidic urotensin II receptor antagonists by virtual screening based on a pharmacophore model derived from structure-activity relationships and nuclear magnetic resonance studies on urotensin II. J Med Chem. 2002 Apr 25;45(9):1799-805.

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