Drug Information

Drug General Information
Drug ID
D07OMS
Former ID
DNC004321
Drug Name
PD-163140
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551335]
Structure
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2D MOL

3D MOL
Formula
C33H33NO12
Canonical SMILES
CCOC(=O)CNC(=O)OC1(C(=C(C(=O)O1)C2=CC3=C(C=C2)OCO3)CC4=<br />CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)OC
InChI
1S/C33H33NO12/c1-6-42-28(35)17-34-32(37)46-33(21-8-10-22(38-2)11-9-21)23(13-19-14-26(39-3)30(41-5)27(15-19)40-4)29(31(36)45-33)20-7-12-24-25(16-20)44-18-43-24/h7-12,14-16H,6,13,17-18H2,1-5H3,(H,34,37)
InChIKey
CJWHCEUECPKIGE-UHFFFAOYSA-N
PubChem Compound ID
9960931
Target and Pathway
Target(s) Endothelin B receptor Target Info Inhibitor [551335]
Endothelin-1 receptor Target Info Inhibitor [551335]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Melanogenesis
Pathways in cancerhsa04020:Calcium signaling pathway
cAMP signaling pathway
Vascular smooth muscle contraction
Renin secretion
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathwayP00019:Endothelin signaling pathway
Pathway Interaction Database Endothelins
Arf6 trafficking eventsendothelinpathway:Endothelins
EGFR-dependent Endothelin signaling events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Endothelin Pathways
GPCR ligand binding
GPCR downstream signalingWP98:Prostaglandin Synthesis and Regulation
GPCR downstream signaling
GPCRs, Other
References
Ref 551335gamma-Carbamate butenolide analogues as potent ETA selective endothelin receptor antagonists and prodrugs, Bioorg. Med. Chem. Lett. 7(3):297-302 (1997).
Ref 551335gamma-Carbamate butenolide analogues as potent ETA selective endothelin receptor antagonists and prodrugs, Bioorg. Med. Chem. Lett. 7(3):297-302 (1997).

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