Drug Information

Drug General Information
Drug ID
D09XLS
Former ID
DNC000659
Drug Name
FR139317
Drug Type
Small molecular drug
Indication Hypertension [ICD9: 401; ICD10:I10-I16] Phase 2 [543355], [549735]
Structure
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2D MOL

3D MOL
Formula
C33H44N6O5
InChI
InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
InChIKey
LIOKMIQQPDDTNO-UPRLRBBYSA-N
CAS Number
CAS 214745-43-4
PubChem Compound ID
107810
PubChem Substance ID
7979321, 10234447, 11113960, 14838559, 44436760, 49866092, 50104760, 57338265, 77498989, 103429450, 104128375, 104379788, 134224728, 134339025, 134340029, 135065226, 135650284, 135698088, 184591604, 228261452, 241182233, 241375300, 249617269
Target and Pathway
Target(s) Endothelin-1 receptor Target Info Antagonist [535520]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Renin secretion
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
Pathway Interaction Database Endothelins
EGFR-dependent Endothelin signaling events
Reactome 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 signaling
GPCRs, Other
References
Ref 543355(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 998).
Ref 549735Acute Endothelin-Receptor Inhibition Does Not Attenuate Acetylcholine-Induced Coronary Vasoconstriction in Experimental Hypercholesterolemia. Arteriosclerosis, Thrombosis, and Vascular Biology, 1998.18: 108-113.
Ref 535520Reduction of bFGF-induced smooth muscle cell proliferation and endothelin receptor mRNA expression by mevastatin and atorvastatin. Biochem Pharmacol. 2002 Aug 1;64(3):497-505.

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