Macitentan

Basic Information

CAS ID: 441798-33-0
Molecular Formula: C19H20Br2N6O4S
Molecular Weight: 588.3 g/mol
Monoisotopic Mass: 585.9633 g/mol
Class: Small Molecule
Natural Product: No
Other Names: OPSUMIT | ACT-064992 | MACITENTAN
Analysis: Drug repositioning mechanism analysis

NH S O O NH N N O O N Br N Br

Compound Structure and Identifier

InChI: InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27) See All
InChI Key: JGCMEBMXRHSZKX-UHFFFAOYSA-N
Smiles: CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1c3ccc(Br)cc3 See All
Molfile: Download

Related Target

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

Related Fibrosis Property

Reference Record 1

PubMed ID 25438341 Target ID T0123
Uniprot ID Endothelin-1 receptor Name Endothelin-1 receptor
Model pig Fibrosis Disease Renal fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 25438341 Target ID T0124
Uniprot ID Endothelin B receptor Name Endothelin B receptor
Model pig Fibrosis Disease Renal fibrosis
Process I attenue inflammation
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 20730702 Target ID T0123
Uniprot ID Endothelin-1 receptor Name Endothelin-1 receptor
Model human Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II
Process III
Mechanism

Reference Record 6

PubMed ID 20730702 Target ID T0124
Uniprot ID Endothelin B receptor Name Endothelin B receptor
Model human Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II
Process III
Mechanism

Trial Record 1

ClinicalTrial ID NCT00903331 Disease Idiopathic pulmonary fibrosis
Phase Phase 2 Status Completed
First Received May 18, 2009 Last Verified February 17, 2014
Sponsor Actelion

Trial Record 2

ClinicalTrial ID NCT01346930 Disease Idiopathic pulmonary fibrosis
Phase Phase 2 Status Withdrawn
First Received May 4, 2011 Last Verified September 3, 2014
Sponsor Actelion

Related Link

PubChem: 16004692
ChEMBL: CHEMBL2103873