CHEBI:76607 - macitentan

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ChEBI Name macitentan
ChEBI ID CHEBI:76607
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H20Br2N6O4S
Net Charge 0
Average Mass 588.27300
Monoisotopic Mass 585.963
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)
InChIKey JGCMEBMXRHSZKX-UHFFFAOYSA-N
SMILES CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
Roles Classification
Biological Role(s): endothelin receptor antagonist
A hormone antagonist that blocks endothelin receptors.
Application(s): 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.
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.
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ChEBI Ontology
Outgoing 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 Sources
macitentán WHO MedNet
macitentan WHO MedNet
macitentan ChemIDplus
macitentanum WHO MedNet
Synonyms Sources
ACT 064992 ChemIDplus
ACT-064992 ChemIDplus
ACT064992 ChemIDplus
Brand Name Source
OPSUMIT KEGG DRUG
Database Links Databases
4809 DrugCentral
D10135 KEGG DRUG
Macitentan Wikipedia
US2008233188 Patent
WO2007119214 Patent
WO2008026156 Patent
View more database links
Registry Numbers Types Sources
11340634 Reaxys Registry Number Reaxys
441798-33-0 CAS Registry Number ChemIDplus
441798-33-0 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017