Target Validation Information
TTD ID T37848
Target Name Albendazole monooxygenase (CYP3A4)
Type of Target
Clinical trial
Drug Potency against Target Clotrimazole Drug Info IC50 = 34.1 nM [23]
(-)-clusin Drug Info IC50 = 830 nM [6]
(-)-cubebin Drug Info IC50 = 9100 nM [6]
(-)-cubebinin Drug Info IC50 = 15000 nM [6]
(-)-cubebininolide Drug Info IC50 = 14900 nM [6]
(-)-dihydroclusin Drug Info IC50 = 800 nM [6]
(-)-thujaplicatintrimethyl ether Drug Info IC50 = 1100 nM [6]
(-)-yatein Drug Info IC50 = 1000 nM [6]
(5-pyridin-3-yl-furan-2-yl)methanethiol Drug Info Ki = 3100 nM [7]
(8R,8'R)-4-hydroxycubebinone Drug Info IC50 = 7400 nM [6]
(8R,8'R,9'S)-5-methoxyclusin Drug Info IC50 = 830 nM [6]
1,1':4',1''-terphenyl-3,3''-diol Drug Info IC50 = 2100 nM [16]
1,2-Diacetoxylycorine Drug Info Ki = 11000 nM [18]
1-(3,4-DICHLOROPHENYL)-6-(METHOXYMETHYL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX) Drug Info IC50 = 10000 nM [21]
1-(4-Butoxy-phenyl)-1H-imidazole Drug Info IC50 = 348 nM [3]
1-(METHOXYMETHYL)-6-(NAPHTHALEN-2-YL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX) Drug Info IC50 = 8000 nM [21]
1-Acetoxy-2-tert-butyldimethylsilyl-oxylycorine Drug Info Ki = 210 nM [18]
1-Acetoxylycorine Drug Info Ki = 7600 nM [18]
1H-1,2,3-benzotriazol-1-amine Drug Info IC50 = 450 nM [1]
2,5-bis(4-hydroxybenzylidene)cyclopentanone Drug Info IC50 = 5100 nM [10]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole Drug Info IC50 = 470 nM [20]
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine Drug Info IC50 = 630 nM [3]
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol Drug Info IC50 = 820 nM [19]
2-fluoro-5-(3-methylthiophen-2-yl)pyridine Drug Info Ki = 19600 nM [7]
2-tert-Butyldimethylsilyloxylycorine Drug Info Ki = 260 nM [18]
2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 252 nM [3]
3,3-(1,3-Thiazole-2,5-diyl)diphenol Drug Info IC50 = 800 nM [16]
3-(3-methylthiophen-2-yl)pyridine Drug Info Ki = 3000 nM [7]
3-(5-((methylthio)methyl)furan-2-yl)pyridine Drug Info Ki = 7400 nM [7]
3-(5-[1,3]dithiolan-2-yl-furan-2-yl)pyridine Drug Info Ki = 1100 nM [7]
3-(pyridin-3-yl)prop-2-yn-1-amine Drug Info Ki = 15200 nM [7]
3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine Drug Info IC50 = 1913 nM [14]
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 417 nM [3]
3-[5-(4-Hydroxyphenyl)-3-thienyl]phenol Drug Info IC50 = 1900 nM [16]
4-(6-Methoxynaphthalen-2-yl)isoquinoline Drug Info IC50 = 3540 nM [14]
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine Drug Info IC50 = 5670 nM [3]
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 344 nM [3]
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol Drug Info IC50 = 500 nM [19]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol Drug Info IC50 = 1500 nM [19]
5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime Drug Info IC50 = 13000 nM [5]
6-(3,4-DICHLOROPHENYL)-1-[1-(METHYLOXY)-3-BUTEN-1-YL]-3-AZABICYCLO[4.1.0]HEPTANE (DIASTEREOMERIC MIX) Drug Info IC50 = 3000 nM [21]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol Drug Info IC50 = 1580 nM [12]
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one Drug Info IC50 = 6210 nM [17]
Alpha-Hydroxy-Midazolam Drug Info IC50 = 10000 nM [2]
Alpha-methylcubebin Drug Info IC50 = 7700 nM [6]
BMS-536924 Drug Info IC50 = 5300 nM [15]
Brivanib Drug Info IC50 = 18000 nM [11]
Curcumin Drug Info IC50 = 16300 nM [10]
Delanzomib Drug Info IC50 = 3500 nM [9]
DIETHOXYFLOURESCEIN Drug Info IC50 = 1000 nM [22]
DIHYDROCUBEBIN Drug Info IC50 = 9500 nM [6]
ETHOXYCLUSIN Drug Info IC50 = 440 nM [6]
Go-Y026 Drug Info IC50 = 13200 nM [10]
GSK-8062 Drug Info IC50 = 8800 nM [13]
HINOKININ Drug Info IC50 = 8000 nM [6]
JATRORRHIZINE Drug Info IC50 = 2100 nM [8]
MEDIORESINOL Drug Info IC50 = 13700 nM [6]
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine Drug Info IC50 = 6300 nM [5]
PALMATINE Drug Info IC50 = 900 nM [8]
TILIROSIDE Drug Info IC50 = 700 nM [4]
References
REF 1 Discovery of a N'-hydroxyphenylformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor. Bioorg Med Chem Lett. 2001 Dec 3;11(23):2993-5.
REF 2 Design and synthesis of a new fluorescent probe for cytochrome P450 3A4 (CYP 3A4). Bioorg Med Chem Lett. 2003 Nov 3;13(21):3643-5.
REF 3 Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.
REF 4 Isolation of cytochrome P450 inhibitors from strawberry fruit, Fragaria ananassa. J Nat Prod. 2004 Nov;67(11):1839-41.
REF 5 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6. J Med Chem. 2005 Jan 13;48(1):224-39.
REF 6 Potent CYP3A4 inhibitory constituents of Piper cubeba. J Nat Prod. 2005 Jan;68(1):64-8.
REF 7 Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. J Med Chem. 2006 Nov 30;49(24):6987-7001.
REF 8 Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria. J Nat Prod. 2007 Dec;70(12):1930-3.
REF 9 Discovery of a potent, selective, and orally active proteasome inhibitor for the treatment of cancer. J Med Chem. 2008 Feb 28;51(4):1068-72.
REF 10 Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem. 2008 Aug;43(8):1621-31.
REF 11 Discovery of brivanib alaninate ((S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-yl)2-amin... J Med Chem. 2008 Mar 27;51(6):1976-80.
REF 12 Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors... J Med Chem. 2008 Apr 10;51(7):2158-69.
REF 13 Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg Med Chem Lett. 2008 Aug 1;18(15):4339-43.
REF 14 Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on pote... J Med Chem. 2008 Aug 28;51(16):5064-74.
REF 15 Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)py... J Med Chem. 2008 Oct 9;51(19):5897-900.
REF 16 Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as p... J Med Chem. 2008 Nov 13;51(21):6725-39.
REF 17 In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-... J Med Chem. 2008 Dec 25;51(24):8077-87.
REF 18 Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids. Bioorg Med Chem Lett. 2009 Jun 15;19(12):3233-7.
REF 19 New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.
REF 20 Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active hi... J Med Chem. 2010 May 13;53(9):3840-4.
REF 21 6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor. J Med Chem. 2010 Jul 8;53(13):4989-5001.
REF 22 Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists. J Med Chem. 2010 Oct 14;53(19):7129-39.
REF 23 Development and validation of an in silico P450 profiler based on pharmacophore models. Curr Drug Discov Technol. 2006 Mar;3(1):1-48.

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