MICONAZOLE NITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII VW4H1CYW1K
Parent Compound: MICONAZOLE

Structure

InChI Key MCCACAIVAXEFAL-UHFFFAOYSA-N
Smiles Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
InChI
InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15Cl4N3O4
Molecular Weight 479.15
AlogP 6.45
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 27.05
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 51 inhibitor INHIBITOR PubMed PubMed PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 119.9-124.12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 119.9-124.12
Trypanosoma cruzi
- 826 - - -

Cross References

Resources Reference
ChEBI 6923
ChEMBL CHEMBL1559
FDA SRS VW4H1CYW1K
Guide to Pharmacology 2449
KEGG C08070
PubChem 68553
SureChEMBL SCHEMBL15799
ZINC ZINC00896740
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