Drug General Information
Drug ID
DXD3VU
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}-benzoic acid methyl ester
Synonyms
CHEMBL298627
Indication Discovery agent Investigative [1587926]
Formula
C32H36N4O5
Canonical SMILES
COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c4ccc(C)cc4N(CC(=O)NC(C)(C)C)C2=O)c1
InChI
InChI=1S/C32H36N4O5/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(29(38)36(27(24)16-20)19-28(37)35-32(2,3)4)34-31(40)33-23-13-9-12-22(17-23)30(39)41-5/h6-17,25-26H,18-19H2,1-5H3,(H,35,37)(H2,33,34,40)/t25-,26-/m1/s1
InChIKey
IEJRYJFWTCKXSD-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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