EVATANEPAG

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Synonyms
Status
Molecule Category Free-form
UNII L266R6E31E

Structure

InChI Key WOHRHWDYFNWPNG-UHFFFAOYSA-N
Smiles CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1
InChI
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28N2O5S
Molecular Weight 468.58
AlogP 4.23
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 96.8
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid EP2 receptor agonist AGONIST PubMed
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
0.3-5 50 - 50 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
5 - - 50 -
Rattus norvegicus
0.3 50 - - -

Target Conservation

Protein: Prostanoid EP2 receptor
Description: Prostaglandin E2 receptor EP2 subtype
Organism : Homo sapiens
P43116 ENSG00000125384

Cross References

Resources Reference
ChEMBL CHEMBL563646
DrugBank DB12022
FDA SRS L266R6E31E
Guide to Pharmacology 1929
PDB GM9
PubChem 9890801
SureChEMBL SCHEMBL533264
ZINC ZINC000001494905
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