Drug General Information
Drug ID
DXK0DZ
Drug Name
(5S,11S,14S,17S)-11-((1H-indol-3-yl)methyl)-17-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-14-(2-(methylthio)ethyl)-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazanonadecan-19-oic acid
Synonyms
CHEMBL3248817
Indication Discovery agent Investigative [1587926]
Formula
C45H57N9O10S2
Canonical SMILES
CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C45H57N9O10S2/c1-65-18-16-33(51-41(60)31(46)20-27-12-14-29(55)15-13-27)42(61)49-25-38(56)50-36(22-28-24-48-32-11-7-6-10-30(28)32)44(63)52-34(17-19-66-2)43(62)54-37(23-39(57)58)45(64)53-35(40(47)59)21-26-8-4-3-5-9-26/h3-15,24,31,33-37,48,55H,16-23,25,46H2,1-2H3,(H2,47,59)(H,49,61)(H,50,56)(H,51,60)(H,52,63)(H,53,64)(H,54,62)(H,57,58)/t31-,33-,34-,35-,36-,37-/m0/s1
InChIKey
CRSGPVVFNHQALK-GIZYWFQPSA-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.