Drug General Information
Drug ID
DXD1FP
Drug Name
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(5R,8R)-8-(1H-indol-3-ylmethyl)-8-methyl-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotetradecane-5-carbonyl]-amino}-succinamic acid
Synonyms
CHEMBL3143501
Indication Discovery agent Investigative [1587926]
Formula
C34H42N6O7S2
Canonical SMILES
C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCSSCC[C@@H](NC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N
InChI
InChI=1S/C34H42N6O7S2/c1-34(19-22-20-36-24-12-6-5-11-23(22)24)33(47)39-25(14-16-49-48-15-8-7-13-28(41)40-34)31(45)38-27(18-29(42)43)32(46)37-26(30(35)44)17-21-9-3-2-4-10-21/h2-6,9-12,20,25-27,36H,7-8,13-19H2,1H3,(H2,35,44)(H,37,46)(H,38,45)(H,39,47)(H,40,41)(H,42,43)/t25-,26+,27+,34-/m1/s1
InChIKey
JZBWOSXHOVOLBT-ZIZQKJAQSA-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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