Bosentan

Basic Information

CAS ID: 147536-97-8
Molecular Formula: C27H29N5O6S
Molecular Weight: 551.6 g/mol
Monoisotopic Mass: 551.1839 g/mol
Class: Small Molecule
Natural Product: No
Other Names: BOSENTAN | TRACLEER | Ro-47-0203-029 | RO 47-0203/029
Analysis: Drug repositioning mechanism analysis

O O NH S O O N N O OH N N

Compound Structure and Identifier

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) See All
InChI Key: GJPICJJJRGTNOD-UHFFFAOYSA-N
Smiles: COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0123 Endothelin-1 receptor antagonist
T0124 Endothelin B receptor antagonist

Related Fibrosis Property

Reference Record 1

PubMed ID 26056233 Target ID T0123
Uniprot ID Endothelin-1 receptor Name Endothelin-1 receptor
Model vitro,human,mice Fibrosis Disease Scar
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 26056233 Target ID T0124
Uniprot ID Endothelin B receptor Name Endothelin B receptor
Model vitro,human,mice Fibrosis Disease Scar
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 3

PubMed ID 25012164 Target ID T0123
Uniprot ID Endothelin-1 receptor Name Endothelin-1 receptor
Model vitro,mice Fibrosis Disease Peritoneal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting ET-1/TGF-β1 axis

Reference Record 4

PubMed ID 25012164 Target ID T0124
Uniprot ID Endothelin B receptor Name Endothelin B receptor
Model vitro,mice Fibrosis Disease Peritoneal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting ET-1/TGF-β1 axis

Reference Record 5

PubMed ID 24708674 Target ID T0123
Uniprot ID Endothelin-1 receptor Name Endothelin-1 receptor
Model vitro,mice Fibrosis Disease Systemic sclerosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting c-Abl - PKC-δ - Fli1

Reference Record 6

PubMed ID 24708674 Target ID T0124
Uniprot ID Endothelin B receptor Name Endothelin B receptor
Model vitro,mice Fibrosis Disease Systemic sclerosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting c-Abl - PKC-δ - Fli1

Trial Record 1

ClinicalTrial ID NCT00071461 Disease Idiopathic pulmonary fibrosis
Phase Phase 2,Phase 3 Status Completed
First Received October 24, 2003 Last Verified February 24, 2012
Sponsor Actelion

Trial Record 2

ClinicalTrial ID NCT00631475 Disease Idiopathic pulmonary fibrosis
Phase Phase 3 Status Completed
First Received March 7, 2008 Last Verified September 28, 2015
Sponsor Actelion

Trial Record 3

ClinicalTrial ID NCT00318175 Disease Systemic scleroderma
Phase Phase 2 Status Completed
First Received April 26, 2006 Last Verified September 10, 2007
Sponsor Heinrich-Heine University, Duesseldorf

Trial Record 4

ClinicalTrial ID NCT00391443 Disease Idiopathic pulmonary fibrosis
Phase Phase 3 Status Completed
First Received October 24, 2006 Last Verified September 28, 2015
Sponsor Actelion

Trial Record 5

ClinicalTrial ID NCT00625469 Disease Idiopathic pulmonary fibrosis
Phase Phase 4 Status Withdrawn
First Received February 28, 2008 Last Verified March 6, 2018
Sponsor Rajan Saggar

Trial Record 6

ClinicalTrial ID NCT00070590 Disease Pulmonary fibrosis
Phase Phase 2,Phase 3 Status Completed
First Received October 8, 2003 Last Verified February 15, 2010
Sponsor Actelion

Trial Record 7

ClinicalTrial ID NCT00637065 Disease Idiopathic pulmonary fibrosis
Phase Phase 4 Status Unknown
First Received March 17, 2008 Last Verified March 17, 2008
Sponsor Royal Brompton & Harefield NHS Foundation Trust

Trial Record 8

ClinicalTrial ID NCT01518595 Disease Liver fibrosis
Phase Phase 2 Status Terminated
First Received January 26, 2012 Last Verified September 28, 2016
Sponsor Medical University of Vienna

Trial Record 9

ClinicalTrial ID NCT00226889 Disease Systemic sclerosis
Phase Phase 1,Phase 2 Status Terminated
First Received September 27, 2005 Last Verified June 12, 2009
Sponsor Rikshospitalet University Hospital

Related Link

PubChem: 104865
ChEMBL: CHEMBL957