Drug General Information
Drug ID
DXUJ7I
Drug Name
{[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-phenethyl-amino}-acetic acid
Synonyms
CHEMBL405208
Indication Discovery agent Investigative [1587926]
Formula
C33H39N3O5
Canonical SMILES
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC3[C@@H]4C[C@H]5C[C@H](C[C@@H]3C5)C4)C(=O)N(CCc6ccccc6)CC(=O)O
InChI
InChI=1S/C33H39N3O5/c1-33(18-26-19-34-28-10-6-5-9-27(26)28,31(39)36(20-29(37)38)12-11-21-7-3-2-4-8-21)35-32(40)41-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19,22-25,30,34H,11-18,20H2,1H3,(H,35,40)(H,37,38)/t22-,23+,24-,25+,30?,33-/m0/s1
InChIKey
NCCODGOBVZOLFU-CGEMXKNESA-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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