BIFONAZOLE

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Synonyms
Status
Molecule Category Free-form
ATC D01AC10
UNII QYJ305Z91O
EPA CompTox DTXSID9045631

Structure

InChI Key OCAPBUJLXMYKEJ-UHFFFAOYSA-N
Smiles c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1
InChI
InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H18N2
Molecular Weight 310.4
AlogP 5.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 17 Cytochrome P450 family 17A Cytochrome P450 17A1
- 790 - 56.5 -
Enzyme Cytochrome P450 Cytochrome P450 family 51 Cytochrome P450 family 51A Cytochrome P450 51A1
- 342 - - -
Enzyme Oxidoreductase
- - - - 56.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 115.65-121.06
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 115.65-121.06
Fungi
- - - - 50
Homo sapiens
- 342-790 - 56.5 56.4
Trypanosoma cruzi
- 204 - - -

Cross References

Resources Reference
ChEBI 78692
ChEMBL CHEMBL277535
DrugBank DB04794
DrugCentral 370
FDA SRS QYJ305Z91O
Human Metabolome Database HMDB0015583
PharmGKB PA164746464
PubChem 2378
SureChEMBL SCHEMBL36803
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