OXFENDAZOLE

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Synonyms
Status
Molecule Category Free-form
UNII OMP2H17F9E
EPA CompTox DTXSID9044112

Structure

InChI Key BEZZFPOZAYTVHN-UHFFFAOYSA-N
Smiles COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13N3O3S
Molecular Weight 315.35
AlogP 2.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 84.08
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 16.49
Enzyme Transferase
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 95.15-114.17
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 95.15-114.17
Homo sapiens
- - - - 0-16.49

Cross References

Resources Reference
ChEBI 35812
ChEMBL CHEMBL42442
DrugBank DB11446
FDA SRS OMP2H17F9E
Human Metabolome Database HMDB0031812
PubChem 40854
SureChEMBL SCHEMBL44121
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