Drug General Information
Drug ID
DX5D6S
Drug Name
3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-ureido}-N-(1H-tetrazol-5-yl)-benzamide
Synonyms
CHEMBL58658
Indication Discovery agent Investigative [1587926]
Formula
C32H35N9O4
Canonical SMILES
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)Nc4nn[nH]n4)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c5ccccc5
InChI
InChI=1S/C32H35N9O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(44)41(26(23)15-19)18-27(42)36-32(2,3)4)34-31(45)33-22-12-8-11-21(16-22)28(43)35-30-37-39-40-38-30/h5-16,24-25H,17-18H2,1-4H3,(H,36,42)(H2,33,34,45)(H2,35,37,38,39,40,43)/t24-,25-/m1/s1
InChIKey
NLKGFOOGBGCDAL-JWQCQUIFSA-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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