Target Validation Information
Target ID T37848
Target Name Cytochrome P450 3A4
Target Type
Clinical Trial
Drug Potency against Target Alpha-Hydroxy-Midazolam Drug Info IC50 = 10000 nM [526846]
1H-1,2,3-benzotriazol-1-amine Drug Info IC50 = 450 nM [526196]
PALMATINE Drug Info IC50 = 900 nM [529147]
6-(3-Hydroxy-phenyl)-naphthalen-2-ol Drug Info IC50 = 1580 nM [529359]
2,5-bis(4-hydroxybenzylidene)cyclopentanone Drug Info IC50 = 5100 nM [529286]
Go-Y026 Drug Info IC50 = 13200 nM [529286]
1-(METHOXYMETHYL)-6-(NAPHTHALEN-2-YL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX) Drug Info IC50 = 8000 nM [530957]
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol Drug Info IC50 = 820 nM [530450]
JATRORRHIZINE Drug Info IC50 = 2100 nM [529147]
(8R,8'R,9'S)-5-methoxyclusin Drug Info IC50 = 830 nM [527404]
DIETHOXYFLOURESCEIN Drug Info IC50 = 1000 nM [531159]
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one Drug Info IC50 = 6210 nM [529834]
BMS-536924 Drug Info IC50 = 5300 nM [529668]
(-)-yatein Drug Info IC50 = 1000 nM [527404]
3-(pyridin-3-yl)prop-2-yn-1-amine Drug Info Ki = 15200 nM [528540]
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine Drug Info IC50 = 630 nM [526913]
(5-pyridin-3-yl-furan-2-yl)methanethiol Drug Info Ki = 3100 nM [528540]
3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine Drug Info IC50 = 1913 nM [529624]
1,1':4',1''-terphenyl-3,3''-diol Drug Info IC50 = 2100 nM [529748]
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 344 nM [526913]
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 417 nM [526913]
1-(4-Butoxy-phenyl)-1H-imidazole Drug Info IC50 = 348 nM [526913]
2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 252 nM [526913]
1-(3,4-DICHLOROPHENYL)-6-(METHOXYMETHYL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX) Drug Info IC50 = 10000 nM [530957]
6-(3,4-DICHLOROPHENYL)-1-[1-(METHYLOXY)-3-BUTEN-1-YL]-3-AZABICYCLO[4.1.0]HEPTANE (DIASTEREOMERIC MIX) Drug Info IC50 = 3000 nM [530957]
2-tert-Butyldimethylsilyloxylycorine Drug Info Ki = 260 nM [530120]
1-Acetoxylycorine Drug Info Ki = 7600 nM [530120]
TILIROSIDE Drug Info IC50 = 700 nM [527311]
1,2-Diacetoxylycorine Drug Info Ki = 11000 nM [530120]
3-(3-methylthiophen-2-yl)pyridine Drug Info Ki = 3000 nM [528540]
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol Drug Info IC50 = 500 nM [530450]
3-[5-(4-Hydroxyphenyl)-3-thienyl]phenol Drug Info IC50 = 1900 nM [529748]
3,3-(1,3-Thiazole-2,5-diyl)diphenol Drug Info IC50 = 800 nM [529748]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol Drug Info IC50 = 1500 nM [530450]
(-)-dihydroclusin Drug Info IC50 = 800 nM [527404]
Delanzomib Drug Info IC50 = 3500 nM [529283]
(-)-cubebinin Drug Info IC50 = 15000 nM [527404]
Brivanib Drug Info IC50 = 18000 nM [529325]
(-)-clusin Drug Info IC50 = 830 nM [527404]
HINOKININ Drug Info IC50 = 8000 nM [527404]
(8R,8'R)-4-hydroxycubebinone Drug Info IC50 = 7400 nM [527404]
1-Acetoxy-2-tert-butyldimethylsilyl-oxylycorine Drug Info Ki = 210 nM [530120]
(-)-cubebininolide Drug Info IC50 = 14900 nM [527404]
DIHYDROCUBEBIN Drug Info IC50 = 9500 nM [527404]
(-)-thujaplicatintrimethyl ether Drug Info IC50 = 1100 nM [527404]
Alpha-methylcubebin Drug Info IC50 = 7700 nM [527404]
MEDIORESINOL Drug Info IC50 = 13700 nM [527404]
(-)-cubebin Drug Info IC50 = 9100 nM [527404]
3-(5-[1,3]dithiolan-2-yl-furan-2-yl)pyridine Drug Info Ki = 1100 nM [528540]
2-fluoro-5-(3-methylthiophen-2-yl)pyridine Drug Info Ki = 19600 nM [528540]
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine Drug Info IC50 = 5670 nM [526913]
5-Pyridin-3-yl-thiophene-2-carbaldehyde oxime Drug Info IC50 = 13000 nM [527367]
3-(5-((methylthio)methyl)furan-2-yl)pyridine Drug Info Ki = 7400 nM [528540]
Clotrimazole Drug Info IC50 = 34.1 nM [552597]
4-(6-Methoxynaphthalen-2-yl)isoquinoline Drug Info IC50 = 3540 nM [529624]
ETHOXYCLUSIN Drug Info IC50 = 440 nM [527404]
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine Drug Info IC50 = 6300 nM [527367]
Curcumin Drug Info IC50 = 16300 nM [529286]
GSK-8062 Drug Info IC50 = 8800 nM [529591]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole Drug Info IC50 = 470 nM [530846]
References
Ref 526846Bioorg Med Chem Lett. 2003 Nov 3;13(21):3643-5.Design and synthesis of a new fluorescent probe for cytochrome P450 3A4 (CYP 3A4).
Ref 526196Bioorg Med Chem Lett. 2001 Dec 3;11(23):2993-5.Discovery of a N'-hydroxyphenylformamidine derivative HET0016 as a potent and selective 20-HETE synthase inhibitor.
Ref 529147J Nat Prod. 2007 Dec;70(12):1930-3. Epub 2007 Nov 10.Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria.
Ref 529359J Med Chem. 2008 Apr 10;51(7):2158-69. Epub 2008 Mar 7.Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases.
Ref 529286Eur J Med Chem. 2008 Aug;43(8):1621-31. Epub 2007 Nov 17.Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues.
Ref 529286Eur J Med Chem. 2008 Aug;43(8):1621-31. Epub 2007 Nov 17.Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues.
Ref 530957J Med Chem. 2010 Jul 8;53(13):4989-5001.6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor.
Ref 530450J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity.
Ref 529147J Nat Prod. 2007 Dec;70(12):1930-3. Epub 2007 Nov 10.Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 531159J Med Chem. 2010 Oct 14;53(19):7129-39.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.
Ref 529834J Med Chem. 2008 Dec 25;51(24):8077-87.In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.
Ref 529668J Med Chem. 2008 Oct 9;51(19):5897-900. Epub 2008 Sep 3.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)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor activity.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 526913Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 529624J Med Chem. 2008 Aug 28;51(16):5064-74. Epub 2008 Aug 1.Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization onpotency and selectivity.
Ref 529748J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).
Ref 526913Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.
Ref 526913Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.
Ref 526913Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.
Ref 526913Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.
Ref 530957J Med Chem. 2010 Jul 8;53(13):4989-5001.6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor.
Ref 530957J Med Chem. 2010 Jul 8;53(13):4989-5001.6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor.
Ref 530120Bioorg Med Chem Lett. 2009 Jun 15;19(12):3233-7. Epub 2009 Apr 24.Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids.
Ref 530120Bioorg Med Chem Lett. 2009 Jun 15;19(12):3233-7. Epub 2009 Apr 24.Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids.
Ref 527311J Nat Prod. 2004 Nov;67(11):1839-41.Isolation of cytochrome P450 inhibitors from strawberry fruit, Fragaria ananassa.
Ref 530120Bioorg Med Chem Lett. 2009 Jun 15;19(12):3233-7. Epub 2009 Apr 24.Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 530450J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity.
Ref 529748J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).
Ref 529748J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).
Ref 530450J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 529283J Med Chem. 2008 Feb 28;51(4):1068-72. Epub 2008 Feb 5.Discovery of a potent, selective, and orally active proteasome inhibitor for the treatment of cancer.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 529325J Med Chem. 2008 Mar 27;51(6):1976-80. Epub 2008 Feb 21.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-aminopropanoate), a novel prodrug of dual vascular endothelial growth factor receptor-2 and fibroblast growth factor receptor-1 kinase inhibitor (BMS-540215).
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 530120Bioorg Med Chem Lett. 2009 Jun 15;19(12):3233-7. Epub 2009 Apr 24.Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 526913Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.
Ref 527367J Med Chem. 2005 Jan 13;48(1):224-39.5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Ref 528540J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.
Ref 552597Development and validation of an in silico P450 profiler based on pharmacophore models. Curr Drug Discov Technol. 2006 Mar;3(1):1-48.
Ref 529624J Med Chem. 2008 Aug 28;51(16):5064-74. Epub 2008 Aug 1.Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization onpotency and selectivity.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527367J Med Chem. 2005 Jan 13;48(1):224-39.5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.
Ref 529286Eur J Med Chem. 2008 Aug;43(8):1621-31. Epub 2007 Nov 17.Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues.
Ref 529591Bioorg Med Chem Lett. 2008 Aug 1;18(15):4339-43. Epub 2008 Jun 28.Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Ref 530846J Med Chem. 2010 May 13;53(9):3840-4.Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active histamine type 3 receptor agonist and evaluation of its antistress activity in mice.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.