Drug General Information
Drug ID
DX3OJX
Drug Name
N-Carboxymethyl-N-[2-(2,4-dichloro-phenyl)-ethyl]-2-(1H-indol-3-ylmethyl)-2-methyl-malonamic acid adamantan-2-yl ester
Synonyms
CHEMBL318852
Indication Discovery agent Investigative [1587926]
Formula
C33H36Cl2N2O5
Canonical SMILES
CC(Cc1c[nH]c2ccccc12)(C(=O)OC3[C@@H]4C[C@H]5C[C@H](C[C@@H]3C5)C4)C(=O)N(CCc6ccc(Cl)cc6Cl)CC(=O)O
InChI
InChI=1S/C33H36Cl2N2O5/c1-33(16-24-17-36-28-5-3-2-4-26(24)28,32(41)42-30-22-11-19-10-20(13-22)14-23(30)12-19)31(40)37(18-29(38)39)9-8-21-6-7-25(34)15-27(21)35/h2-7,15,17,19-20,22-23,30,36H,8-14,16,18H2,1H3,(H,38,39)/t19-,20+,22-,23+,30?,33?
InChIKey
UIISAWYHPZCXHX-VKXCFGGISA-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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