Drug General Information
Drug ID
D0S9JH
Former ID
DNC001098
Drug Name
PD142893
Drug Type
Small molecular drug
Indication Discovery agent Terminated [545245]
Structure
Download
2D MOL

3D MOL

Formula
C50H65N7O10
Canonical SMILES
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)<br />O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)<br />C4=CC=CC=C4)NC(=O)C
InChI
1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
InChIKey
IFDNLSRYZKUGIR-KXXXQFFTSA-N
CAS Number
CAS 152811-62-6
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Endothelin B receptor Target Info Antagonist [535521]
Endothelin-1 receptor Target Info Antagonist [535521]
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 545245Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002573)
Ref 535521Human optic nerve head astrocytes as a target for endothelin-1. Invest Ophthalmol Vis Sci. 2002 Aug;43(8):2704-13.

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