Drug General Information
Drug ID
DXZR1I
Drug Name
3-{6-[3-(3-Acetyl-phenyl)-ureido]-2-[2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
Synonyms
CHEMBL3142899
Indication Discovery agent Investigative [1587926]
Formula
C44H54N8O10
Canonical SMILES
CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)c1
InChI
InChI=1S/C44H54N8O10/c1-26(53)28-15-12-16-30(22-28)48-42(60)46-20-11-10-19-33(39(57)51-36(24-37(54)55)41(59)50-34(38(45)56)21-27-13-6-5-7-14-27)49-40(58)35(52-43(61)62-44(2,3)4)23-29-25-47-32-18-9-8-17-31(29)32/h5-9,12-18,22,25,33-36,47H,10-11,19-21,23-24H2,1-4H3,(H2,45,56)(H,49,58)(H,50,59)(H,51,57)(H,52,61)(H,54,55)(H2,46,48,60)/t33-,34-,35-,36-/m0/s1
InChIKey
DFEYLEJPVYHCDP-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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