Drug General Information
Drug ID
DXQ6TC
Drug Name
3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-tert-butyl-ureido)-hexanoylamino]-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
Synonyms
CHEMBL3142689
Indication Discovery agent Investigative [1587926]
Formula
C40H56N8O9
Canonical SMILES
CC(C)(C)NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N
InChI
InChI=1S/C40H56N8O9/c1-39(2,3)48-37(55)42-19-13-12-18-28(34(52)46-31(22-32(49)50)36(54)45-29(33(41)51)20-24-14-8-7-9-15-24)44-35(53)30(47-38(56)57-40(4,5)6)21-25-23-43-27-17-11-10-16-26(25)27/h7-11,14-17,23,28-31,43H,12-13,18-22H2,1-6H3,(H2,41,51)(H,44,53)(H,45,54)(H,46,52)(H,47,56)(H,49,50)(H2,42,48,55)/t28-,29-,30-,31-/m0/s1
InChIKey
GNCTXZCRPJHAQB-ORYMTKCHSA-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.