Drug General Information
Drug ID
DXV5GY
Drug Name
(S)-3-[(S)-2-[(S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-((S)-1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid
Synonyms
CHEMBL320858
Indication Discovery agent Investigative [1587926]
Formula
C47H54N8O9
Canonical SMILES
CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)Nc2ccccc2C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OCc5ccccc5
InChI
InChI=1S/C47H54N8O9/c1-30-15-9-11-21-35(30)53-46(62)49-24-14-13-23-37(43(59)52-39(27-41(56)57)45(61)55(2)40(42(48)58)25-31-16-5-3-6-17-31)51-44(60)38(26-33-28-50-36-22-12-10-20-34(33)36)54-47(63)64-29-32-18-7-4-8-19-32/h3-12,15-22,28,37-40,50H,13-14,23-27,29H2,1-2H3,(H2,48,58)(H,51,60)(H,52,59)(H,54,63)(H,56,57)(H2,49,53,62)/t37-,38-,39-,40-/m0/s1
InChIKey
FNPYKAXPXOTPIV-YKKXUYLKSA-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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