EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76607 - macitentan

ChEBI IDCHEBI:76607
ChEBI Namemacitentan
Stars
DefinitionA member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H20Br2N6O4S
Net Charge0
Average Mass588.282
Monoisotopic Mass585.96335
SMILESCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChIInChI=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)
InChIKeyJGCMEBMXRHSZKX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
endothelin receptor antagonist  A hormone antagonist that blocks endothelin receptors.
Applications:
orphan drug  Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease.
endothelin receptor antagonist  A hormone antagonist that blocks endothelin receptors.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
macitentan (CHEBI:76607) has functional parent ACT-132577 (CHEBI:76609)
macitentan (CHEBI:76607) has functional parent ethylene glycol (CHEBI:30742)
macitentan (CHEBI:76607) has role antihypertensive agent (CHEBI:35674)
macitentan (CHEBI:76607) has role endothelin receptor antagonist (CHEBI:51451)
macitentan (CHEBI:76607) has role orphan drug (CHEBI:71031)
macitentan (CHEBI:76607) is a aromatic ether (CHEBI:35618)
macitentan (CHEBI:76607) is a organobromine compound (CHEBI:37141)
macitentan (CHEBI:76607) is a pyrimidines (CHEBI:39447)
macitentan (CHEBI:76607) is a ring assembly (CHEBI:36820)
macitentan (CHEBI:76607) is a sulfamides (CHEBI:51871)
IUPAC Name 
N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]-N'-propylsulfuric diamide
INNs  Source
macitentanChemIDplus
macitentanWHO MedNet
macitentánWHO MedNet
macitentanumWHO MedNet
Synonyms  Source
ACT 064992ChemIDplus
ACT-064992ChemIDplus
ACT064992ChemIDplus
Brand Name  Source
OPSUMITKEGG DRUG
Manual XrefsDatabases
4809DrugCentral
D10135KEGG DRUG
MacitentanWikipedia
US2008233188Patent
WO2007119214Patent
WO2008026156Patent
Registry NumbersSources
Reaxys:11340634Reaxys
CAS:441798-33-0ChemIDplus
CAS:441798-33-0KEGG DRUG
Citations