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 Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 600 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 16 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 200 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 800 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 70 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- 183 - - -
Enzyme Hydrolase
- 14000-100000 - - 11-93
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 3704 - - -
Enzyme Oxidoreductase
- 10100 - - 75.9
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 110000 - - -
Enzyme Transferase
- - - - 25.41
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -49.97-5.21
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 4958 - 1653 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 2607 - 1873 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3584 - 1516 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 3104 - 1054 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 2785 - 1122 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 2628 - 1485 -
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 - - 71.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 141 - 1371 -
Unclassified protein
- - - - 10.1-75.5

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