SULCONAZOLE

Search structure
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D01AC09
UNII: 5D9HAA5Q5S

Structure
InChI Key AFNXATANNDIXLG-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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
- 14000-100000 - - 11-93
Enzyme Oxidoreductase
- 10100 - - 76
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
- 6880 - - 71
Unclassified protein
- - - - 10-76

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 77776
ChEMBL CHEMBL1221
DrugBank DB06820
EPA CompTox DTXSID8044129
FDA SRS 5D9HAA5Q5S
KEGG C08076
PubChem 5318
SureChEMBL SCHEMBL34761
CONTENTS