Drug General Information
Drug ID
DXZO0L
Drug Name
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-3-1H-indol-3-yl-2-(3-phenyl-ureido)-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid
Synonyms
CHEMBL431065
Indication Discovery agent Investigative [1587926]
Formula
C46H53N9O8
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)Nc5ccccc5
InChI
InChI=1S/C46H53N9O8/c1-29-15-9-11-21-34(29)53-45(62)48-24-14-13-23-36(42(59)52-38(27-40(56)57)44(61)55(2)39(41(47)58)25-30-16-5-3-6-17-30)51-43(60)37(54-46(63)50-32-18-7-4-8-19-32)26-31-28-49-35-22-12-10-20-33(31)35/h3-12,15-22,28,36-39,49H,13-14,23-27H2,1-2H3,(H2,47,58)(H,51,60)(H,52,59)(H,56,57)(H2,48,53,62)(H2,50,54,63)/t36-,37-,38-,39-/m0/s1
InChIKey
FUHLCEBYHDWRHI-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

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