CLOTRIMAZOLE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A01AB18 D01AC01 G01AF02
UNII G07GZ97H65
EPA CompTox DTXSID7029871

Structure

InChI Key VNFPBHJOKIVQEB-UHFFFAOYSA-N
Smiles Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
InChI
InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H17ClN2
Molecular Weight 344.85
AlogP 5.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 25.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 51 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 17 Cytochrome P450 family 17A Cytochrome P450 17A1
- - - 81.5 -
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 1.8 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 803 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 136 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 883 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 20-67 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 51 Cytochrome P450 family 51A Cytochrome P450 51A1
- 130 103-200 - -
Enzyme Cytochrome P450
- 20-67 103-200 81.5 -
Ion channel Other ion channel Miscellaneous ion channel Ca2+ release-activated Ca2+ channel family
- - - - 55
Ion channel Voltage-gated ion channel Potassium channels Calcium-activated potassium channel
- 70-360 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 590 - - -
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
- - - - 81.4
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 3
- 80-690 - 100 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -120.4-105.89
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 69.3
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 29
Unclassified protein
- - - - 5.6-99
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Aspergillus fumigatus
- - 103 - -
Candida albicans
- - - - 38
Cricetulus griseus
- - - - 34-105.89
Homo sapiens
- 1.8-883 - 81.5-100 -120.4-81.4
Mus musculus
- 630 - - 21.5-93
Mycobacterium smegmatis
- - 430-620 - -
Mycobacterium tuberculosis
- - 70-200 - -
Mycobacterium tuberculosis H37Rv
- - 70-73 - -
Plasmodium falciparum
- 60-630.96 - - -
Plasmodium falciparum 3D7
- 60 - - -
Plasmodium falciparum 7G8
- 251.19 - - -
Plasmodium falciparum D10
- 550-794.33 - - -
Plasmodium falciparum HB3
- 316.23 - - -
Plasmodium falciparum K1
- 250 - - -
Saccharomyces cerevisiae
- 400 - - 5.6-99
Trypanosoma cruzi
- 187 - - -

Cross References

Resources Reference
ChEBI 3764
ChEMBL CHEMBL104
DrugBank DB00257
DrugCentral 719
FDA SRS G07GZ97H65
Human Metabolome Database HMDB0001922
Guide to Pharmacology 2330
KEGG C06922
PDB CL6
PharmGKB PA449057
PubChem 2812
SureChEMBL SCHEMBL3850
ZINC ZINC000003807804
CONTENTS