Drug Information

Drug General Information
Drug ID
D04VOM
Former ID
DNC011991
Drug Name
PD-136621
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551254]
Structure
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2D MOL

3D MOL
Formula
C35H42N4O6
Canonical SMILES
CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=<br />O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
InChI
1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
InChIKey
FVQSSYMRZKLFDR-QTZXECCPSA-N
PubChem Compound ID
14802538
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [551254]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [551254]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04020:Calcium signaling pathway
Gastric acid secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPK
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, Other
References
Ref 551254Selective ligands for cholecystokinin receptor subtypes CCK-A and CCK-B within a single structural class, Bioorg. Med. Chem. Lett. 3(5):881-884 (1993).
Ref 551254Selective ligands for cholecystokinin receptor subtypes CCK-A and CCK-B within a single structural class, Bioorg. Med. Chem. Lett. 3(5):881-884 (1993).

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