macitentan (CHEBI:76607)

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CHEBI:76607 - macitentan

ChEBI ID	CHEBI:76607
ChEBI Name	macitentan
Stars
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.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C19H20Br2N6O4S
Net Charge	0
Average Mass	588.282
Monoisotopic Mass	585.96335
SMILES	CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
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

Wikipedia

Roles Classification

Biological Role:

endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors.

Applications:

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

anti-ulcer drug One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.

antifibrotic agent Any agent which acts to reduce fibrosis.

endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors.

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.

antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

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 anti-ulcer drug (CHEBI:49201)
	macitentan (CHEBI:76607) has role antifibrotic agent (CHEBI:233423)
	macitentan (CHEBI:76607) has role antihypertensive agent (CHEBI:35674)
	macitentan (CHEBI:76607) has role antineoplastic agent (CHEBI:35610)
	macitentan (CHEBI:76607) has role cardiovascular drug (CHEBI:35554)
	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
macitentan	ChemIDplus
macitentan	WHO MedNet
macitentán	WHO MedNet
macitentanum	WHO MedNet

Synonyms	Source
ACT 064992	ChemIDplus
ACT-064992	ChemIDplus
ACT064992	ChemIDplus

Brand Names	Source
Macitentan component of opsynvi	ChEMBL
OPSUMIT	KEGG DRUG

Manual Xrefs	Databases
4809	DrugCentral
D10135	KEGG DRUG
Macitentan	Wikipedia
US2008233188	Patent
WO2007119214	Patent
WO2008026156	Patent

Registry Numbers	Sources
Reaxys:11340634	Reaxys
CAS:441798-33-0	ChemIDplus
CAS:441798-33-0	KEGG DRUG

Citations