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TERBINAFINE

Compound

Name and Classification

ID: CHEMBL822

Name: TERBINAFINE

Max Phase:

Approved Learn more

First Approval: 1992

Molecular Formula: C21H25N

Molecular Weight: 291.44

Molecule Type: Small molecule

Synonyms and Trade Names:

SF 86-327 SF-86-327 TDT-067 TERBINAFINA TERBINAFINE

Representations

Molfile:

Canonical SMILES:

Standard InChI:

Standard InChI Key:

Sources

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Scientific Literature United States Adopted Names (USAN) PubChem BioAssays AstraZeneca DMPK/physicochemical WHO Anatomical Therapeutic Chemical (ATC) Classification of Drugs DrugMatrix SARS-CoV-2 Screening Data Gene Expression Atlas Compounds (EMBL-EBI) FDA Orange Book Drugs Clinical Candidate Compounds Drugs for Neglected Diseases Initiative (DNDi) Open TG-GATEs Fraunhofer Institute HDAC6 screening IMI-CARE SARS-CoV-2 Data

Alternative Forms

Alternative forms of compound CHEMBL822

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Parent:

CHEMBL822

TERBINAFINE

Alternative Forms:

CHEMBL1200832

TERBINAFINE HYDROCHLORIDE

1 out of 1

Similar Compounds

Compounds similar to CHEMBL822

Compounds with at least 85% similarity.

Browse All REST Service Call

CHEMBL3183524

Similarity: 100.00

CHEMBL1200832

TERBINAFINE HYDROCHLORIDE
Similarity: 100.00

1 - 2 out of 2

Activity Charts

Include data from Alt. Forms

Showing data from CHEMBL822 (TERBINAFINE) and its 1 alternative forms.

Bioactivity Summary

Total

2769

MIC

IC50

Tissue Severity Score

WEIGHT

MIC80

Activity

ALB

HGB

MCH

POTASSIUM

ALP

ALT

BASOLE

BUN

CHOL

EOSLE

PHOS

WBC

Other

Include data from Alt. Forms

Showing data from CHEMBL822 (TERBINAFINE) and its 1 alternative forms.

Assay Summary

Total

885

F - Functional

B - Binding

A - ADME

T - Toxicity

P - Physicochemical

Include data from Alt. Forms

Showing data from CHEMBL822 (TERBINAFINE) and its 1 alternative forms.

Target Summary

Total

217

N/A

Membrane receptor

Enzyme

Transporter

Transcription factor

Unclassified protein

Ion channel

Epigenetic regulator

Other cytosolic protein

Other nuclear protein

Secreted protein

Structural protein

Literature

Histogram Settings

Interval Size (1)

Total

101

Journal:

J Med Chem

Eur J Med Chem

Antimicrob Agents Chemother

Bioorg Med Chem

Bioorg Med Chem Lett

N/A

Drug Discov Today

Med Chem Res

Pest Manag Sci

Medchemcomm

J Nat Prod

Curr Drug Discov Technol

Gastroenterol Clin Biol

J Biol Chem

Toxicol Mech Methods

Chem Res Toxicol

Drug Metab Dispos

PLoS Comput Biol

Pharm Res

Items with no Year (6)

The table below displays ChEMBL targets which are predicted to interact with TERBINAFINE (CHEMBL822). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not TERBINAFINE (CHEMBL822) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

Target	Target Pref. Name	Confidence 70%	Confidence 80%	Confidence 90%	Activity Threshold
CHEMBL2902	Dihydrofolate reductase	inactive	inactive	inactive	6
CHEMBL2725	Beta-lactamase	inactive	inactive	both	6
CHEMBL5062	Coagulation factor X	empty	empty	empty	6.5
CHEMBL1947	Thyroid hormone receptor beta-1	inactive	inactive	inactive	7
CHEMBL2157850	Ubiquitin carboxyl-terminal hydrolase 7	inactive	inactive	inactive	6

Calculated Properties

Molecular Weight:

291.44

Molecular Weight (Monoisotopic):

291.1987

AlogP:

4.88

#Rotatable Bonds:

Polar Surface Area:

3.24

Molecular Species:

BASE

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

8.86

CX LogP:

5.53

CX LogD:

4.06

Aromatic Rings:

Heavy Atoms:

QED Weighted:

0.73

Np Likeness Score:

-0.03

Structural Alerts

Alert Set	Priority	Alerts
Dundee	4	Alert ID: 80911865 Alert Name: triple bond 1 1 out of 1
MLSMR	3	Alert ID: 82135955 Alert Name: Long aliphatic chain 1 1 out of 1