Drug General Information
Drug ID
DXA4EX
Drug Name
N-tert-Butyl-2-{(3R,5R)-8-methyl-2-oxo-5-phenyl-3-[3-(3-trifluoromethanesulfonylaminocarbonyl-phenyl)-ureido]-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Synonyms
CHEMBL408490
Indication Discovery agent Investigative [1587926]
Formula
C32H34F3N5O6S
Canonical SMILES
Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c4ccccc4
InChI
InChI=1S/C32H34F3N5O6S/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(43)40(26(23)15-19)18-27(41)38-31(2,3)4)37-30(44)36-22-12-8-11-21(16-22)28(42)39-47(45,46)32(33,34)35/h5-16,24-25H,17-18H2,1-4H3,(H,38,41)(H,39,42)(H2,36,37,44)/t24-,25-/m1/s1
InChIKey
MPQWSQLPSQOSKO-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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