Drug General Information
Drug ID
DXPK4J
Drug Name
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-2-(2-dimethylamino-acetylamino)-3-1H-indol-3-yl-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid
Synonyms
CHEMBL415706
Indication Discovery agent Investigative [1587926]
Formula
C43H55N9O8
Canonical SMILES
CN(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc3ccccc3C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C43H55N9O8/c1-27-14-8-10-18-31(27)50-43(60)45-21-13-12-20-33(48-41(58)34(47-37(53)26-51(2)3)23-29-25-46-32-19-11-9-17-30(29)32)40(57)49-35(24-38(54)55)42(59)52(4)36(39(44)56)22-28-15-6-5-7-16-28/h5-11,14-19,25,33-36,46H,12-13,20-24,26H2,1-4H3,(H2,44,56)(H,47,53)(H,48,58)(H,49,57)(H,54,55)(H2,45,50,60)/t33-,34-,35-,36-/m0/s1
InChIKey
OAZQSRLYLWOSBW-ZYADHFCISA-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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