Details of the Drug

General Information of Drug (ID: DMOJ4ZI)

Drug Name

Butenafine

Synonyms

Butenafina; Butenafinum; Mentax; Butenafine HCL; Butenafine [INN]; Butenafine hydrochloride; KP 363; Butenafina [INN-Spanish]; Butenafine (INN); Butenafinum [INN-Latin]; Butop (TN); KP-363; Mentax (TN); N-4-tert-butylbenzyl-N-methyl-1-naphthalene methylamine hydrochloride; N-p-tert-Butylbenzyl-N-methyl-1-naphthalenemethylamine; N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine; 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine; 4-tert-butylbenzyl(methyl)(1-naphthalenemethyl)amine

Indication

Disease Entry	ICD 11	Status	REF
Dermatologic infection	1F28	Approved	[1]
Tinea corporis	1F28.Y	Approved	[2]
Tinea cruris	1F28.3	Approved	[2]
Tinea versicolor	1F2D.0	Approved	[2]
Skin infection	1F28-1G0Z	Investigative	[2]
Tinea pedis	1F28.2	Investigative	[2]
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Therapeutic Class

Antifungal Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

317.5

Logarithm of the Partition Coefficient (xlogp)

6.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 35 hours [3]

Chemical Identifiers

Formula: C23H27N
IUPAC Name: 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32
InChI: InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
InChIKey: ABJKWBDEJIDSJZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2484
ChEBI ID: CHEBI:3238
CAS Number: 101828-21-1
DrugBank ID: DB01091
TTD ID: D0B4DC

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Squalene epoxidase (Candi ERG1)	TTM9XSU	ERG1_CANAL	Modulator	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2	Butenafine FDA Label
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.