NAFTIFINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 25UR9N9041
EPA CompTox DTXSID2045496

Structure

InChI Key OLUNPKFOFGZHRT-YGCVIUNWSA-N
Smiles CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12.Cl
InChI
InChI=1S/C21H21N.ClH/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20;/h2-15H,16-17H2,1H3;1H/b11-8+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22ClN
Molecular Weight 323.87
AlogP 4.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Squalene monooxygenase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 296 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Staphylococcus aureus subsp. aureus str. Newman
- 296-296 - - -

Cross References

Resources Reference
ChEBI 7452
ChEMBL CHEMBL1200493
FDA SRS 25UR9N9041
KEGG C08072
PubChem 5281098
SureChEMBL SCHEMBL41356
ZINC ZINC01530977
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