Drug Information

Drug General Information
Drug ID
D05VZJ
Former ID
DIB011575
Drug Name
J-104132
Synonyms
L-753037; (5S,6R,7R)-2-Butyl-7-[2-[2(S)-carboxypropyl]-4-methoxyphenyl]-5-(3,4-methylenedioxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Drug Type
Small molecular drug
Indication Pulmonary arterial hypertension [ICD9: 416; ICD10:I27.0, I27.2] Discontinued in Phase 2 [546841]
Structure
Download
2D MOL

3D MOL
Formula
C31H33NO7
Canonical SMILES
CCCCC1=NC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)CC(C)C(=O)O)C(<br />=O)O)C4=CC5=C(C=C4)OCO5
InChI
1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
InChIKey
IUHMIOAKWHUFKU-YINIXLNUSA-N
CAS Number
CAS 198279-45-7
PubChem Compound ID
186002
PubChem Substance ID
10260457, 14812050, 33508052, 48032745, 74784498, 103067243, 103083412, 103250461, 104032944, 113437336, 117541318, 128221502, 135164049, 162817835, 172919111, 232162582, 252165076
Target and Pathway
Target(s) Endothelin-1 receptor Target Info Modulator [525496]
Endothelin B receptor Target Info Modulator [525496]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Renin secretion
Pathways in cancerhsa04020:Calcium signaling pathway
Melanogenesis
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathwayP00019:Endothelin signaling pathway
Pathway Interaction Database Endothelins
EGFR-dependent Endothelin signaling eventsendothelinpathway:Endothelins
Arf6 trafficking 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 signaling
GPCRs, OtherWP98:Prostaglandin Synthesis and Regulation
References
Ref 546841Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010566)
Ref 525496Pharmacological properties of J-104132 (L-753,037), a potent, orally active, mixed ETA/ETB endothelin receptor antagonist. J Pharmacol Exp Ther. 1999 Jun;289(3):1262-70.

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