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Substrate Report for: Selexipag

Selexipag is a Prostacyclin receptor agonist, that causes vasodilation in pulmonary vasculature and is used in the therapy of pulmonary arterial hypertension (PAH). Undergoes hydrolytic removal of the sulfonamide moiety by carboxylesterase 1 (CES1) to yield the pharmacologically active metabolite MRE-269 (ACT-333679)



General
Type: Not A/B H target, Pro-Drug, Drug
Chemical_Nomenclature: 2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide
Canonical SMILES: CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
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
Other name(s): NS-304 ; Uptravi ; NS 304 ; ACT-293987
MW: 496.62
Formula: C26H32N4O4S
CAS_number: 475086-01-2
PubChem: 9913767
IUPHAR:
Wikipedia:

Target families
Selexipag ligand of proteins in family: Carb_B_Chordata
No structure

Protein target
Enzyme: human-CES1

References
Search PubMed for references concerning: Selexipag
    Title: Contribution of Human Liver and Intestinal Carboxylesterases to the Hydrolysis of Selexipag In Vitro
    Imai S, Ichikawa T, Sugiyama C, Nonaka K, Yamada T
    Ref: J Pharm Sci, 108:1027, 2019 : PubMed