OXICONAZOLE

Search structure
Synonyms:
Status: Approved (1988)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D01AC11
UNII: C668Q9I33J

Structure
InChI Key QRJJEGAJXVEBNE-HKOYGPOVSA-N
Smile Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChI
InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H13Cl4N3O
Molecular Weight 429.13
AlogP 6.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 39.41
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 40 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 3000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 1000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 90 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- 617.4 - - -
Enzyme Hydrolase
- 4646.5 - - 10.03
Enzyme Oxidoreductase
- 28000 - - 24.9
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -20.01--6.68
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 3221.8 - 1073.9 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 5308.1 - 1871.2 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 4531 - 1140.7 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3649.9 - 1531 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1993.7 - 2068 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 4163 - 1189.4 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 634.5 - 358.6 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1910.3 - 1894.5 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 7825
ChEMBL CHEMBL1262
DrugBank DB00239
DrugCentral 3408
EPA CompTox DTXSID8040690
FDA SRS C668Q9I33J
KEGG C08074
PubChem 5353853
SureChEMBL SCHEMBL4540297
ZINC ZINC000003873295
CONTENTS