Drug General Information
Drug ID
DX5AXX
Drug Name
N-tert-Butyl-2-{(3R,5R)-5-cyclohexyl-3-[3-(3-methanesulfonylaminocarbonyl-phenyl)-ureido]-8-methyl-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Synonyms
CHEMBL294252
Indication Discovery agent Investigative [1587926]
Formula
C32H43N5O6S
Canonical SMILES
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)C)C(=O)N(CC(=O)NC(C)(C)C)c2c1)C4CCCCC4
InChI
InChI=1S/C32H43N5O6S/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(30(40)37(27(24)16-20)19-28(38)35-32(2,3)4)34-31(41)33-23-13-9-12-22(17-23)29(39)36-44(5,42)43/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,38)(H,36,39)(H2,33,34,41)/t25-,26-/m1/s1
InChIKey
SFJVTILNSUYYFI-CLJLJLNGSA-N
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info [1587926]
Cholecystokinin receptor type A Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPKR-HSA-375276:Peptide ligand-binding receptors
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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