Drug General Information
Drug ID
DXI4IS
Drug Name
3-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-phenethyl-amino}-propionic acid
Synonyms
CHEMBL330390
Indication Discovery agent Investigative [1587926]
Formula
C34H41N3O5
Canonical SMILES
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC3[C@@H]4C[C@H]5C[C@H](C[C@@H]3C5)C4)C(=O)N(CCC(=O)O)CCc6ccccc6
InChI
InChI=1S/C34H41N3O5/c1-34(20-27-21-35-29-10-6-5-9-28(27)29,32(40)37(14-12-30(38)39)13-11-22-7-3-2-4-8-22)36-33(41)42-31-25-16-23-15-24(18-25)19-26(31)17-23/h2-10,21,23-26,31,35H,11-20H2,1H3,(H,36,41)(H,38,39)/t23-,24+,25-,26+,31?,34?
InChIKey
MUNNAUUHDXISAJ-SFTFUCLMSA-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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