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Compound Detail

CHEMBL368348

(R)-MICONAZOLE
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Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368348
Name (R)-MICONAZOLE
Phase Preclinical
Structure Type MOL
InChI Key BYBLEWFAAKGYCD-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.1
MW (Da)
6.45
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl4N2O
MW 416.13
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.92

Activity Summary

Ki 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 2C9
CHEMBL3397
 Ki 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 2C9 Ki = 6000.0 nM 5.22 Binding affinity towards cytochrome P450 2C9 14761192

Literature References

PubMed DOI Target Context # Activities
14761192 10.1021/jm030972s Cytochrome P450 2C9 1

Data from ChEMBL 36 via Core Engine