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Drug-Target Interaction

Drug

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PubChem ID:5144
Structure:
Synonyms:
(Allyldioxy)benzene methylene ether
1,2-(Methylenedioxy)-4-allylbenzene
1,2-Methylenedioxy-4-allylbenzene
1,3-Benzodioxole, 5-(2-propen-1-yl)-
1,3-Benzodioxole, 5-(2-propenyl)-
1,3-Benzodioxole, 5-allyl-
1-Allyl-3,4-(methylenedioxy)benzene
1-Allyl-3,4-methylenedioxybenzene
1-ALLYL-3,4-METHYLIDENEDIOXYBENZENE
1406-55-9
3,4-(Methylenedioxy)allylbenzene
3,4-methylenedioxy-allylbenzene
3-Allyl-1,2-(methylenedioxy)benzene
4 Allyl 1,2 methylenedioxybenzene
4-Allyl-1,2-(methylened ioxy)-benzene
4-Allyl-1,2-(methylenedioxy)-benzene
4-Allyl-1,2-(methylenedioxy)benzene
4-Allyl-1,2-methylenedioxybenzene
4-Allyl-1,2-methylenedioxybenzenes
4-Allyl-procatecol
4-allylcatechol methylene ether
4-Allylpyrocatechol
4-Allylpyrocatechol formaldehyde acetal
4-allylpyrocatechol methylene ether
5-(2-Propenyl)-1,3-benzodioxole
5-19-01-00553 (Beilstein Handbook Reference)
5-allyl-1,3-benzodiox ole
5-Allyl-1,3-benzodioxole
5-prop-2-enyl-1,3-benzodioxole
8022-92-2
94-59-7
AC1L1JP9
AI3-00514
Allylcatechol methylene ether
Allyldioxybenzene methylene ether
Allylpyrocatechol methylene ether
Benzene, 1,2-methylenedioxy-4-allyl-
Benzene, 4-allyl-1,2-(methylenedioxy)-
BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE
BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE
Benzodioxole, 5-(2-propenyl)-
BRN 0136380
BSPBio_002810
C10490
Caswell No. 729
CCRIS 553
CHEMBL242273
D012451
DivK1c_001022
EINECS 202-345-4
EPA Pesticide Chemical Code 097901
HMS1922E22
HMS503M05
HSDB 2653
IDI1_001022
KBio1_001022
KBio2_001926
KBio2_004494
KBio2_007062
KBio3_002030
KBioGR_002319
KBioSS_001926
LS-1965
m-Allylpyrocatechin methylene ether
MLS001056251
NCGC00091122-01
NCGC00091122-02
NCGC00091122-03
NCGC00091122-04
NCGC00091122-05
NCGC00091122-06
NINDS_001022
NSC 11831
NSC11831
RCRA waste no. U203
RCRA waste number U203
Rhyuno
Rhyuno oil
S9652_SIGMA
Safrene
Safrol
Safrole
Safrole MF
Safroles
Safrols
Sassafras
SDCCGMLS-0066708.P001
Shikimol
Shikimole
Shikimols
Shikomol
SMR001216599
SPBio_000850
SPECTRUM1503620
Spectrum2_000775
Spectrum3_001105
Spectrum4_001939
Spectrum5_000843
Spectrum_001446
ST50406117
ST5406117
WLN: T56 BO DO CHJ G2U1
ZINC00002050
[1,2-(Methylenedioxy)-4-allyl]benzene

Target

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Uniprot ID:CP1A1_RAT
Synonyms:
CYP1A1
CYPIA1
Cytochrome P450 1A1
P450-C
P450MT2
EC-Numbers:1.14.14.1
Organism:Rat
Rattus norvegicus
PDB IDs:-

Binding Affinities:

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

References:

3660849
Inhibition of cytochrome P-450c-mediated benzo[a]pyrene hydroxylase and ethoxyresorufin O-deethylase by dihydrosafrole.. L R Kao; C F Wilkinson (1987) Xenobiotica; the fate of foreign compounds in biological systems display abstract
1. Inhibitory activity of dihydrosafrole towards benzo[a]pyrene (BP) hydroxylase activity in hepatic microsomes from beta-naphthoflavone (BNF)-induced rats, and in reconstituted systems containing cytochrome P-450c, increased dramatically on preincubation of the inhibitor with NADPH; no inhibition occurred without preincubation. The level of BP hydroxylase inhibition was associated with the progressive formation of the 456 nm dihydrosafrole metabolite-cytochrome P-450c spectral complex during preincubation. 2. Inhibition of BP hydroxylase by dihydrosafrole in control microsomes, and inhibition of ethoxyresorufin O-deethylase (EROD) in microsomes (control or BNF-induced) and in reconstituted systems with cytochrome P-450c, did not require preincubation and apparently was not dependent on prior formation of the dihydrosafrole metabolite-cytochrome P-450 complex. 3. Kinetic studies established that, following preincubation with NADPH, dihydrosafrole was a noncompetitive inhibitor of both BP hydroxylase and EROD activities. In the absence of preincubation, dihydrosafrole was an effective competitive inhibitor of EROD in BNF-induced microsomes and in reconstituted systems with cytochrome P-450c. 4. Both ethoxyresorufin and benzo[a]pyrene inhibited the development of the type I optical difference spectrum of dihydrosafrole in reconstituted systems containing cytochrome P-450c. Inhibition by ethoxyresorufin was competitive while that caused by benzo[a]pyrene was noncompetitive in nature. 5. The type II ligand phenylimidazole was an effective noncompetitive inhibitor of EROD activity but failed to exert any inhibitory effect on cytochrome P-450c-mediated BP hydroxylase activity. Phenylimidazole inhibited formation of the dihydrosafrole type I optical difference spectrum non-competitively. 6. The results indicate that ethoxyresorufin and benzo[a]pyrene may occupy different binding sites on cytochrome P-450c and that dihydrosafrole binds primarily to the site utilized by ethoxyresorufin.