FLUTRIMAZOLE

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Synonyms
Status
Molecule Category Free-form
ATC D01AC16 G01AF18
UNII 776S0UP252

Structure

InChI Key QHMWCHQXCUNUAK-UHFFFAOYSA-N
Smiles Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1
InChI
InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H16F2N2
Molecular Weight 346.38
AlogP 5.0
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 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 4
- - - - 66.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 66.7

Cross References

Resources Reference
ChEBI 82864
ChEMBL CHEMBL2107430
DrugBank DB13425
DrugCentral 1227
FDA SRS 776S0UP252
PubChem 3401
SureChEMBL SCHEMBL154962
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