Drug General Information
Drug ID
DXY5RJ
Drug Name
N-{(S)-1-[(S)-1-{1-[(S)-((S)-1-Carbamoyl-2-phenyl-ethyl)-methyl-carbamoyl]-2-carboxy-ethylcarbamoyl}-5-(3-o-tolyl-ureido)-pentylcarbamoyl]-2-1H-indol-3-yl-ethyl}-phthalamic acid
Synonyms
CHEMBL322955
Indication Discovery agent Investigative [1587926]
Formula
C47H52N8O10
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)c5ccccc5C(=O)O
InChI
InChI=1S/C47H52N8O10/c1-28-14-6-10-20-34(28)54-47(65)49-23-13-12-22-36(43(60)53-38(26-40(56)57)45(62)55(2)39(41(48)58)24-29-15-4-3-5-16-29)51-44(61)37(25-30-27-50-35-21-11-9-17-31(30)35)52-42(59)32-18-7-8-19-33(32)46(63)64/h3-11,14-21,27,36-39,50H,12-13,22-26H2,1-2H3,(H2,48,58)(H,51,61)(H,52,59)(H,53,60)(H,56,57)(H,63,64)(H2,49,54,65)/t36-,37-,38-,39-/m0/s1
InChIKey
WZWKDTGOMQYSNZ-GTKRZRNESA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.