Drug General Information
Drug ID
DX2NBH
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3-sulfooxy-phenyl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; NH40H.hydrate
Synonyms
CHEMBL3144535
Indication Discovery agent Investigative [1587926]
Formula
C44H55N7O13S
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc3cccc(OS(=O)(=O)O)c3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C44H55N7O13S/c1-44(2,3)63-43(59)51-35(24-29-26-47-32-17-8-7-16-31(29)32)41(57)48-33(18-9-10-21-46-37(52)20-19-28-14-11-15-30(22-28)64-65(60,61)62)40(56)50-36(25-38(53)54)42(58)49-34(39(45)55)23-27-12-5-4-6-13-27/h4-8,11-17,22,26,33-36,47H,9-10,18-21,23-25H2,1-3H3,(H2,45,55)(H,46,52)(H,48,57)(H,49,58)(H,50,56)(H,51,59)(H,53,54)(H,60,61,62)/t33-,34-,35-,36-/m0/s1
InChIKey
IQPFMMXTTZBLAA-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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