TERBINAFINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D01AE15 D01BA02
UNII G7RIW8S0XP
EPA CompTox DTXSID2023640

Structure

InChI Key DOMXUEMWDBAQBQ-WEVVVXLNSA-N
Smiles CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
InChI
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N
Molecular Weight 291.44
AlogP 4.88
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Squalene monooxygenase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 30 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Arthroderma otae
- 100 - - -
Aspergillus flavus
- 300 - - -
Aspergillus niger
- 700 - - -
Candida albicans
- - - 30 -
Candida parapsilosis
- 400 - - -
Cryptococcus neoformans
- 400-500 - - -
Epidermophyton floccosum
- - - - 72.3
Nannizzia gypsea
- - - - 71.9
Trichophyton mentagrophytes
- 60 - - -
Trichophyton quinckeanum
- 10 - - -
Trichophyton rubrum
- 30-70 - - 51.7
Trichophyton terrestre
- - - - 66

Cross References

Resources Reference
ChEBI 9448
ChEMBL CHEMBL822
DrugBank DB00857
DrugCentral 2597
FDA SRS G7RIW8S0XP
Human Metabolome Database HMDB0014995
KEGG C08079
PharmGKB PA451614
PubChem 1549008
SureChEMBL SCHEMBL36794
ZINC ZINC000001530981
CONTENTS