Drug General Information
Drug ID
DXQ8NP
Drug Name
N-tert-Butyl-2-{(3R,5S,7R)-2-oxo-7-phenyl-5-o-tolyl-3-[3-(3-trifluoromethyl-phenyl)-ureido]-azepan-1-yl}-acetamide
Synonyms
CHEMBL319748
Indication Discovery agent Investigative [1587926]
Formula
C33H37F3N4O3
Canonical SMILES
Cc1ccccc1[C@H]2C[C@@H](NC(=O)Nc3cccc(c3)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C2)c4ccccc4
InChI
InChI=1S/C33H37F3N4O3/c1-21-11-8-9-16-26(21)23-17-27(38-31(43)37-25-15-10-14-24(19-25)33(34,35)36)30(42)40(20-29(41)39-32(2,3)4)28(18-23)22-12-6-5-7-13-22/h5-16,19,23,27-28H,17-18,20H2,1-4H3,(H,39,41)(H2,37,38,43)/t23-,27+,28+/m0/s1
InChIKey
VHAAOROZSHMZRJ-MLKSZZLFSA-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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