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Drug-Target Interaction

Drug

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PubChem ID:244
Structure:
Synonyms:
(Hydroxymethyl)benzene
.alpha.-Hydroxytoluene
.alpha.-Toluenol
100-51-6
108006_ALDRICH
108006_SIAL
13160_FLUKA
13160_SIAL
1336-27-2
185532-71-2
24122_RIEDEL
24122_SIAL
305197_ALDRICH
305197_SIAL
34460_FLUKA
34460_RIEDEL
3762963D-6C2A-4BFF-AD94-3180E51BCA68
4-06-00-02222 (Beilstein Handbook Reference)
402834_SIAL
442481_SUPELCO
AB1002552
AC1L18SY
AC1Q7C20
AG-D-05803
AI3-01680
AIDS-009274
AIDS009274
AKOS000119907
Alcohol bencilico
Alcohol bencilico [INN-Spanish]
Alcohol, Benzyl
alcoholum benzylicum
Alcoholum benzylicum [INN-Latin]
Alcool benzilico
Alcool benzilico [DCIT]
Alcool benzylique
Alcool benzylique [INN-French]
alpha-hydroxytoluene
alpha-Toluenol
aplha-Hydroxytoluene
Aromatic alcohol
Aromatic primary alcohol
B2378
BB_SC-7027
Benzal alcohol
Benzencarbinol
Benzene Carbinol
Benzenecarbinol
benzenemethanol
Benzoyl alcohol
benzyl alcohol
Benzyl alcohol (JP15/NF)
Benzyl alcohol (JP15/NF/INN)
Benzyl alcohol (JP16/NF/INN)
Benzyl alcohol (natural)
Benzyl alcohol [USAN:INN:JAN]
BENZYL ALCOHOL, ACS
BENZYL ALCOHOL, U.S.P./N.F.
Benzyl Alcohole
BENZYL-ALCOHOL
benzylalcohol
Benzylalkohol
benzylic alcohol
Benzylicum
BIDD:ER0248
bmse000407
BRN 0878307
Butyl ether
C00556
c0278
C03485
C7H8O
Caswell No. 081F
CCRIS 2081
CHEBI:17987
CHEMBL720
D00077
D019905
Dibutyl ether
EINECS 202-859-9
EPA Pesticide Chemical Code 009502
Euxyl K 100
FEMA No. 2137
HMS3264B16
HSDB 46
hydroxymethylbenzene
Hydroxytoluene
I01-4406
Itch-X
Jsp000133
LS-307
MBN
Methanol, phenyl-
Mixture Name
MolPort-001-783-216
NCGC00091865-01
NCGC00091865-02
NCGC00091865-03
NCGC00091865-04
nchem.167-comp3
nchem.651-comp3i
nchem.932-comp19
NCI-C06111
NSC 8044
NSC8044
OBZ
PENTADEOTEROBENZYL ALCOHOL
Phenolcarbinol
Phenyl Methanol
Phenyl-Methanol
phenylcarbinol
Phenylcarbinolum
phenylmethanol
Phenylmethyl alcohol
TOLUENE,ALPHA-HYDROXY
Ulesfia (TN)
UNII-LKG8494WBH
W213705_ALDRICH
W213713_ALDRICH
WLN: Q1R
ZINC00895302

Target

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Uniprot ID:CP2B1_RAT
Synonyms:
CYPIIB1
Cytochrome P450 2B1
P450-B
P450-LM2
P450-PB1 and P450-PB2
P450b
EC-Numbers:1.14.14.1
Organism:Rat
Rattus norvegicus
PDB IDs:-

Binding Affinities:

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

References:

8347164
Monoclonal antibody-directed assessment of toluene induction of rat hepatic cytochrome P450 isozymes.. R S Wang; T Nakajima; S S Park; H V Gelboin; N Murayama (1993) Biochemical pharmacology display abstract
Cytochrome P450 isozymes induced in rat liver by a range of concentrations of toluene were studied with monoclonal antibodies (MAbs) to specific P450 isozymes and by enzyme assays. Nitrosodimethylamine demethylase activity was significantly increased in microsomes from rats exposed to more than 1000 ppm of toluene, an increase that was dose-dependent. Anti-CYP2E1 significantly inhibited the metabolism of toluene to benzyl alcohol (BA) by about 50%, in microsomes from 1000 to 4000 ppm toluene-exposed rats, at low substrate concentration (0.2 mM). With anti-CYP2B1/2, the rate of BA formation was decreased by 15-17% in microsomes from rats of 2000 and 4000 ppm toluene exposures at high substrate concentration (5.0 mM). On the other hand, anti-CYP2C11/6 inhibited the rate of formation of BA in all of the microsomes, but the extent of inhibition was progressively decreased from 55% in control to 33% in 4000 ppm exposure. Immunoblot analysis with anti-CYP2E1 and anti-CYP2B1/2 revealed stronger immunoreactive bands in microsomes from rats exposed to more than 1000 and 2000 ppm of toluene, respectively. Stronger bands were also observed in microsomes from rats of 2000-4000 ppm toluene exposures with anti-CYP3A1/2, but no immunoreactivity appeared with anti-CYP1A1/2. These results suggest that toluene induces CYP2E1, CYP2B1/2 and CYP3A1/2, but reduces CYP2C11/6, and has no effect on CYP1A1/2.
9726784
Inhibition of rat lung mixed-function oxidase activity following repeated low-level toluene inhalation: possible role of toluene metabolites.. G M Furman; D M Silverman; R A Schatz (1998) Journal of toxicology and environmental health. Part A display abstract
Toluene is a commonly used solvent that has been shown to alter mixed-function oxidase (MFO) activity, in an organ- and isozyme-specific pattern, following intraperitoneal administration. The purpose of this study was to determine whether similar changes occurred following repeated, low-level inhalation exposure, and to investigate the role of toluene metabolites in these alterations. Exposure to 375 ppm toluene, 6 h/d for up to 5 d, resulted in significant inhibition of the activity of pulmonary arylhydrocarbon hydroxylase (AHH), cytochrome P-4502B1 (CYP2B1), and CYP4B1, but not CYP1A1. After exposure to lower toluene levels (125 ppm, 6 h/d, 3 d), the activities of lung AHH, CYP2B1, and CYP4B1 were also significantly decreased, but in a dose-related manner. MFO activity was not consistently altered in liver. Control pulmonary or liver microsomes were incubated with various concentrations (0.01-10 mM) of toluene or its metabolites and CYP2B1, CYP1A1, and/or CYP4B1 activities were subsequently determined. Benzaldehyde produced a significant dose-related inhibition in the activity of all three lung P-450s examined (IC50 10(-3) M). Toluene was found to be a more potent inhibitor of lung CYP2B1 and CYP1A1 (IC50, 10(-4) M) than benzaldehyde, but neither toluene nor benzyl alcohol was an effective inhibitor of lung CYP4B1. Toluene and its metabolites were weaker inhibitors of CYP1A1 than of CYP2B1. For CYP2B1 and CYP1A1, the order of inhibitory potency was toluene > benzaldehyde > benzyl alcohol and suggests that both the parent molecule and its metabolites may act in concert to inhibit catalytic activity of these cytochromes. The MFO inhibition seen after repeated low-level toluene inhalation exposure could result in altered metabolic profiles of other xenobiotics in an organ-specific fashion.