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Drug-Target Interaction

Drug

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PubChem ID:71733
Structure:
Synonyms:
(+-)-Bufuralol
(R)-Bufuralol
(RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol
(S)-Bufuralol
1-(7-Ethylbenzofuran-2-yl)-2-(tert-butylamino)ethanol
1-(7-Ethylbenzofuran-2-yl)-2-tert-butylamino-1-hydroxyethane
2-(2-tert-butylamino-1-hydroxyethyl)-7-ethylbenzofuran
2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol
2-Benzofuranmethanol, .alpha.-[[(1,1-dimethylethyl)amino]methyl]-7-ethyl-
2-Benzofuranmethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-7-ethyl-,
2-benzofuranmethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-7-ethyl-, ()-
2-Benzofuranmethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-7-ethyl-, (+)-
2-Benzofuranmethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-7-ethyl-, (-)-
54340-62-4
57704-15-1
59652-29-8
59652-29-8 (hydrochloride)
64100-61-4
64100-62-5
AC1L2GPJ
AC1Q777C
alpha-((tert-Butylamino)methyl)-7-ethyl-2-benzofuranmethanol
AR-1C7009
Bufuralol
Bufuralol [BAN:INN]
bufuralol, (DL)-(+-)-isomer
bufuralol, hydrochloride
bufuralol, hydrochloride, (D)-(+)-isomer
bufuralol, hydrochloride, (DL)-(+-)-isomer
bufuralol, hydrochloride, (L)-(-)-isomer
Bufuralolum
Bufuralolum [INN-Latin]
C010831
C13769
C16H23NO2
CHEMBL296035
DB06726
dl-Bufuralol
EINECS 259-112-5
LS-175547
NCGC00165965-01
Ro 3-4787
Ro-34787
UNII-891H89GFT4

Target

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Uniprot ID:Q38LG2_HUMAN
Synonyms:
Cytochrome P450 2D6
EC-Numbers:1.14.14.1
Organism:Homo sapiens
Human
PDB IDs:-

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----

References:

8554939
An investigation of the interaction between halofantrine, CYP2D6 and CYP3A4: studies with human liver microsomes and heterologous enzyme expression systems.. R C Halliday; B C Jones; D A Smith; N R Kitteringham; B K Park (1995) British journal of clinical pharmacology display abstract
1. We have assessed the interaction of the antimalarial halofantrine with cytochrome P450 (CYP) enzymes in vitro, with the use of microsomes from human liver and recombinant cell lines. 2. Rac-halofantrine was a potent inhibitor (IC50 = 1.06 microM, Ki = 4.3 microM) of the 1-hydroxylation of bufuralol, a marker for CYP2D6 activity. Of a group of structurally related antimalarials tested, only quinidine (IC50 = 0.04 microM) was more potent. 3. Microsomes prepared from recombinant CYP2D6 and CYP3A4 cell lines were shown to catalyse halofantrine N-debutylation. 4. The metabolism of halofantrine to its N-desbutyl metabolite by human liver microsomes showed no correlation with CYP2D6 genotypic or phenotypic status and there was no consistent inhibition by quinidine. 5. The rate of halofantrine metabolism showed a significant correlation with both CYP3A4 protein levels (r = 0.88, P = 0.01) and the rate of felodipine metabolism (r = 0.86, P = 0.013), a marker substrate for CYP3A4 activity. Inhibition studies showed that ketoconazole is a potent inhibitor of halofantrine metabolism (IC50 = 1.57 microM). 6. In conclusion, we have demonstrated that halofantrine is a potent inhibitor of CYP2D6 in vitro and can also be metabolised by the enzyme. However, in human liver microsomes it appears to be metabolised largely by CYP3A4.