Drug General Information
Drug ID
DXV3QX
Drug Name
3-(2-Amino-3-phenyl-propionylamino)-N-(1-{[1-tert-butoxycarbonyl-2-(1H-indol-3-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethyl)-succinamic acid
Synonyms
CHEMBL3351049
Indication Discovery agent Investigative [1587926]
Formula
C38H45N5O7
Canonical SMILES
CN([C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc4ccccc4
InChI
InChI=1S/C38H45N5O7/c1-38(2,3)50-37(49)32(21-26-23-40-29-18-12-11-17-27(26)29)43(4)36(48)31(20-25-15-9-6-10-16-25)42-35(47)30(22-33(44)45)41-34(46)28(39)19-24-13-7-5-8-14-24/h5-18,23,28,30-32,40H,19-22,39H2,1-4H3,(H,41,46)(H,42,47)(H,44,45)/t28-,30-,31-,32+/m0/s1
InChIKey
PGDGNBSJKAXWJD-BNAYGLTLSA-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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