General Information of the Compound
Compound ID
CP0065934
Compound Name
BUTENAFINE
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Synonyms
1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
4-tert-butylbenzyl(methyl)(1-naphthalenemethyl)amine
Butenafina
Butenafina [INN-Spanish]
Butenafine
Butenafine (INN)
Butenafine HCL
Butenafine [INN]
Butenafine hydrochloride
Butenafinum
Butenafinum [INN-Latin]
Butop (TN)
KP 363
KP-363
Mentax
Mentax (TN)
N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine
N-4-tert-butylbenzyl-N-methyl-1-naphthalene methylamine hydrochloride
N-p-tert-Butylbenzyl-N-methyl-1-naphthalenemethylamine
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Structure
Formula
C23H27N
Molecular Weight
317.476
Canonical SMILES
CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12
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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
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InChIKey
ABJKWBDEJIDSJZ-UHFFFAOYSA-N
CAS
101828-21-1
Physicochemical Property
logP
5.7693
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2484
SID: 14874583
ChEMBL ID
CHEMBL990
DrugBank ID
DB01091
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00820, Acetylcholinesterase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6907.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00817, Cytochrome P450 2D6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Butenafine )
Drug Name Butenafine
Company Schering-Plough
Indication
Dermatologic infection
Approved
Target(s)
Candida Squalene epoxidase (Candi ERG1)
 Target Info 
Modulator