CHEBI:90844 - selexipag

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ChEBI Name selexipag
ChEBI ID CHEBI:90844
Definition A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H32N4O4S
Net Charge 0
Average Mass 496.624
Monoisotopic Mass 496.21443
InChI InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
InChIKey QXWZQTURMXZVHJ-UHFFFAOYSA-N
SMILES C1(=C(N=CC(=N1)N(CCCCOCC(NS(C)(=O)=O)=O)C(C)C)C2=CC=CC=C2)C3=CC=CC=C3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): prostacyclin receptor agonist
An agonist that binds to and activates prostacyclin receptors
Application(s): 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.
platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
vasodilator agent
A drug used to cause dilation of the blood vessels.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing selexipag (CHEBI:90844) has functional parent ACT-333679 (CHEBI:90848)
selexipag (CHEBI:90844) has role orphan drug (CHEBI:71031)
selexipag (CHEBI:90844) has role platelet aggregation inhibitor (CHEBI:50427)
selexipag (CHEBI:90844) has role prodrug (CHEBI:50266)
selexipag (CHEBI:90844) has role prostacyclin receptor agonist (CHEBI:90845)
selexipag (CHEBI:90844) has role vasodilator agent (CHEBI:35620)
selexipag (CHEBI:90844) is a N-sulfonylcarboxamide (CHEBI:90852)
selexipag (CHEBI:90844) is a aromatic amine (CHEBI:33860)
selexipag (CHEBI:90844) is a ether (CHEBI:25698)
selexipag (CHEBI:90844) is a monocarboxylic acid amide (CHEBI:29347)
selexipag (CHEBI:90844) is a pyrazines (CHEBI:38314)
selexipag (CHEBI:90844) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide
INN Source
selexipag KEGG DRUG
Synonyms Sources
ACT 293987 ChemIDplus
ACT-293987 ChemIDplus
NS 304 ChemIDplus
NS-304 ChemIDplus
Brand Name Source
Uptravi ChEBI
Manual Xrefs Databases
5077 DrugCentral
D09994 KEGG DRUG
Selexipag Wikipedia
View more database links
Registry Numbers Types Sources
11140227 Reaxys Registry Number Reaxys
475086-01-2 CAS Registry Number KEGG DRUG
475086-01-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24392948 PubMed citation Europe PMC
25277144 PubMed citation Europe PMC
25552906 PubMed citation Europe PMC
25850750 PubMed citation Europe PMC
25851691 PubMed citation Europe PMC
26152132 PubMed citation Europe PMC
26291199 PubMed citation Europe PMC
26567613 PubMed citation Europe PMC
26699168 PubMed citation Europe PMC
Last Modified
22 February 2017