Drug General Information
Drug ID
DXLG2I
Drug Name
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-3-(1H-indol-3-yl)-2-methylamino-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-succinamic acid
Synonyms
CHEMBL160753
Indication Discovery agent Investigative [1587926]
Formula
C39H48N8O7
Canonical SMILES
CN[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@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C39H48N8O7/c1-24-12-6-8-16-28(24)47-39(54)42-19-11-10-18-30(44-37(52)32(41-2)21-26-23-43-29-17-9-7-15-27(26)29)36(51)46-33(22-34(48)49)38(53)45-31(35(40)50)20-25-13-4-3-5-14-25/h3-9,12-17,23,30-33,41,43H,10-11,18-22H2,1-2H3,(H2,40,50)(H,44,52)(H,45,53)(H,46,51)(H,48,49)(H2,42,47,54)/t30-,31-,32-,33-/m0/s1
InChIKey
PELWGACKPBLEMU-YRCZKMHPSA-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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