SULCONAZOLE

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Synonyms
Status
Molecule Category Free-form
ATC D01AC09
UNII 5D9HAA5Q5S
EPA CompTox DTXSID8044129

Structure

InChI Key AFNXATANNDIXLG-UHFFFAOYSA-N
Smiles Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChI
InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15Cl3N2S
Molecular Weight 397.76
AlogP 6.52
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 11-93
Enzyme Oxidoreductase
- - - - 75.9
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
- - - - 71.1
Unclassified protein
- - - - 10.1-75.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - - - 11-93
Homo sapiens
- - - - 71.1-75.9
Mus musculus
- - - - 100
Saccharomyces cerevisiae
- - - - 10.1-75.5

Cross References

Resources Reference
ChEBI 77776
ChEMBL CHEMBL1221
DrugBank DB06820
FDA SRS 5D9HAA5Q5S
KEGG C08076
PubChem 5318
SureChEMBL SCHEMBL34761
CONTENTS