VERINURAD

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Synonyms
Status
Molecule Category Free-form
UNII 12WJ62D047

Structure

InChI Key YYBOLPLTQDKXPM-UHFFFAOYSA-N
Smiles CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O
InChI
InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16N2O2S
Molecular Weight 348.43
AlogP 4.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 73.98
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Solute carrier family 22 member 12 inhibitor INHIBITOR PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 23-25 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 23-25 - - -

Target Conservation

Protein: Solute carrier family 22 member 12
Description: Solute carrier family 22 member 12
Organism : Homo sapiens
Q96S37 ENSG00000197891

Cross References

Resources Reference
ChEMBL CHEMBL3707347
DrugBank DB11873
FDA SRS 12WJ62D047
Guide to Pharmacology 9327
PubChem 54767229
SureChEMBL SCHEMBL12070797
ZINC ZINC000199107019
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