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Drug-Target Interaction

Drug

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PubChem ID:240
Structure:
Synonyms:
09143_FLUKA
100-52-7
2vj1
418099_ALDRICH
AB1002885
AC1L18SM
AC1Q6PV7
AG-D-05848
AI3-09931
AKOS000119172
Ald3-H_000012
Ald3.1-H_000160
Ald3.1-H_000479
Ald3.1-H_000798
Almond Artificial Essential Oil
Aromatic aldehyde
Artificial Bitter Almond Oil
Artificial Almond Oil
Artificial Bitter Almond Oil
Artificial essential oil of almond
B1334_ALDRICH
B1334_SIAL
B2379
Ben zoyl hydride
Benzadehyde
BENZALDEHYDE
Benzaldehyde (natural)
Benzaldehyde (NF)
Benzaldehyde FFC
Benzaldehyde [UN1990] [Class 9]
Benzaldehyde [UN1990] [Class 9]
Benzaldehyde [USAN]
benzaldehyde, formyl-(14)C-labeled
benzanoaldehyde
Benzene carbaldehyde
Benzene carboxaldehyde
Benzene methylal
Benzenecarbonal
Benzenecarboxaldehyde
Benzenemethylal
Benzoic aldehyde
Benzoyl hydride
BEZ
BIDD:ER0249
Bitter almond oil, synthetic
C00193
C00261
c0279
C032175
Caswell No. 076
CCRIS 2376
CHEBI:17169
CHEMBL15972
D02314
EINECS 202-860-4
EPA Pesticide Chemical Code 008601
FEMA No. 2127
ghl.PD_Mitscher_leg0.170
HBX
HSDB 388
I01-1667
I14-7330
LS-27
LT00939687
NCGC00091819-01
NCGC00091819-02
NCGC00091819-03
nchem.467-comp5
nchem.801-comp5a
nchem.857-comp5a
nchem.932-comp20
nchembio814-comp15
NCI-C56133
NSC 7917
NSC7917
Oil of Bitter Almond
PENTADEOTERO BENZALDEHYDE
Phenylmethanal
ST5213372
Synthetic oil of bitter almond
UN1990
UNII-TA269SD04T
W212709_ALDRICH
W212717_ALDRICH
WLN: VHR
ZINC00895145

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:

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.