FEVIPIPRANT

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Synonyms
Status
Molecule Category Free-form
UNII 2PEX5N7DQ4

Structure

InChI Key GFPPXZDRVCSVNR-UHFFFAOYSA-N
Smiles Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F
InChI
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17F3N2O4S
Molecular Weight 426.42
AlogP 3.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 89.26
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
G protein-coupled receptor 44 antagonist ANTAGONIST PubMed Other
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
- 0.4-3.1 1.023 4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-3.1 1.023 4 -
Rattus norvegicus
- 6.5 - - -

Target Conservation

Protein: G protein-coupled receptor 44
Description: Prostaglandin D2 receptor 2
Organism : Homo sapiens
Q9Y5Y4 ENSG00000183134

Cross References

Resources Reference
ChEMBL CHEMBL3137332
DrugBank DB12011
FDA SRS 2PEX5N7DQ4
Guide to Pharmacology 8995
PDB FSY
SureChEMBL SCHEMBL1940595
ZINC ZINC000043101772
CONTENTS