Drug Information

Drug General Information
Drug ID
D0U4CE
Former ID
DAP000030
Drug Name
Bosentan
Synonyms
Actelion; Bosentanum; Tracleer; Bosentan (INN); KS-5062; Ro 47-0203; Tracleer (TN); Bosentan [USAN:INN:BAN]; Ro 47-0203/039; Ro-47-0203; Ro-47-0203/029; Ro-47-0203/039; P-tert-Butyl-N-[6-(2-hydroxyethoxy); P-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide; 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamide; 4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide; 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Drug Type
Small molecular drug
Indication Pulmonary arterial hypertension [ICD9: 416; ICD10:I27.0, I27.2] Approved [537041], [540432]
Therapeutic Class
Antihypertensive Agents
Company
Actelion Pharmaceuticals
Structure
Download
2D MOL

3D MOL
Formula
C27H29N5O6S
InChI
InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
CAS Number
CAS 147536-97-8
PubChem Compound ID
104865
PubChem Substance ID
7978805, 10233650, 12014838, 14763764, 44434454, 46507154, 47285934, 48179783, 49831038, 49881484, 50112694, 50840650, 51091861, 53787963, 56464382, 57337889, 85209778, 92309270, 92714194, 93581179, 93619683, 103250068, 103956688, 104179184, 104373115, 118855338, 125341362, 126592988, 126624339, 126655593, 126671144, 127344134, 127344135, 127344136, 127963291, 131299472, 134337358, 134339787, 135143300, 135723687, 137003210, 142094009, 143493318, 144115748, 144205997, 151991482, 152237729, 152258948, 160647793, 160963904
ChEBI ID
ChEBI:51450
SuperDrug ATC ID
C02KX01
SuperDrug CAS ID
cas=147536978
Target and Pathway
Target(s) Endothelin-1 receptor Target Info Modulator [556264]
Endothelin B receptor Target Info Modulator [556264]
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 537041Optimizing endothelin receptor antagonist use in the management of pulmonary arterial hypertension. Vasc Health Risk Manag. 2008;4(5):943-52.
Ref 540432(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: 3494).
Ref 556264Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.

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