VIDUPIPRANT

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Synonyms
Status
Molecule Category Free-form
UNII 61OTZ32XNC
EPA CompTox DTXSID40151606

Structure

InChI Key PFWVGKROPKKEDW-UHFFFAOYSA-N
Smiles CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1
InChI
InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27Cl2FN2O6S
Molecular Weight 609.5
AlogP 6.76
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 121.8
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
G protein-coupled receptor 44 antagonist ANTAGONIST 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
- 3-35 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3-35 - - -

Target Conservation

Protein: Prostanoid DP receptor
Description: Prostaglandin D2 receptor
Organism : Homo sapiens
Q13258 ENSG00000168229
Protein: G protein-coupled receptor 44
Description: Prostaglandin D2 receptor 2
Organism : Homo sapiens
Q9Y5Y4 ENSG00000183134

Cross References

Resources Reference
ChEMBL CHEMBL1951575
DrugBank DB12272
FDA SRS 61OTZ32XNC
Guide to Pharmacology 10169
PubChem 42641863
SureChEMBL SCHEMBL4344221
ZINC ZINC000043206238
CONTENTS