Drug General Information
Drug ID
DX5STX
Drug Name
N-Isopropyl-2-[(3R,5S,7R)-2-oxo-7-phenyl-5-o-tolyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide
Synonyms
CHEMBL319569
Indication Discovery agent Investigative [1587926]
Formula
C32H38N4O3
Canonical SMILES
CC(C)NC(=O)CN1[C@H](C[C@H](C[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c3ccccc3C)c4ccccc4
InChI
InChI=1S/C32H38N4O3/c1-21(2)33-30(37)20-36-29(24-13-6-5-7-14-24)19-25(27-16-9-8-12-23(27)4)18-28(31(36)38)35-32(39)34-26-15-10-11-22(3)17-26/h5-17,21,25,28-29H,18-20H2,1-4H3,(H,33,37)(H2,34,35,39)/t25-,28+,29+/m0/s1
InChIKey
MIUNVYQVNGDVKG-RFYMFKDESA-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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