SELEXIPAG

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC B01AC27
UNII 5EXC0E384L

Structure

InChI Key QXWZQTURMXZVHJ-UHFFFAOYSA-N
Smiles CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32N4O4S
Molecular Weight 496.63
AlogP 3.9
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 101.49
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid IP receptor agonist AGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
6-200 62 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
6-100 62 - - -
Rattus norvegicus
200 - - - -

Target Conservation

Protein: Prostanoid IP receptor
Description: Prostacyclin receptor
Organism : Homo sapiens
P43119 ENSG00000160013

Cross References

Resources Reference
ChEBI 90844
ChEMBL CHEMBL238804
DrugBank DB11362
DrugCentral 5077
FDA SRS 5EXC0E384L
Guide to Pharmacology 7552
PubChem 9913767
SureChEMBL SCHEMBL674122
ZINC ZINC000003990451
CONTENTS