Drug General Information
Drug ID
DX6YUL
Drug Name
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(6-hydroxy-naphthalene-2-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid; hydrate
Synonyms
CHEMBL413768
Indication Discovery agent Investigative [1587926]
Formula
C47H55N7O10
Canonical SMILES
CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c2ccc3cc(O)ccc3c2)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C
InChI
InChI=1S/C47H55N7O10/c1-47(2,3)64-46(63)53-37(25-32-27-50-35-15-9-8-14-34(32)35)44(61)51-36(16-10-11-21-49-42(59)31-18-17-30-24-33(55)20-19-29(30)23-31)43(60)52-38(26-40(56)57)45(62)54(4)39(41(48)58)22-28-12-6-5-7-13-28/h5-9,12-15,17-20,23-24,27,36-39,50,55H,10-11,16,21-22,25-26H2,1-4H3,(H2,48,58)(H,49,59)(H,51,61)(H,52,60)(H,53,63)(H,56,57)/t36-,37-,38-,39-/m0/s1
InChIKey
RPNVENCCLVKRAM-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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