Target Validation Information
TTD ID T57392
Target Name Debrisoquine 4-hydroxylase (CYP2D6)
Type of Target
Successful
Drug Potency against Target (2-hydroxy-3-phenoxypropyl)(propan-2-yl)amine Drug Info IC50 = 18000 nM [7]
(5-(pyridin-3-yl)furan-2-yl)methanamine Drug Info Ki = 5700 nM [9]
(5-phenylfuran-2-yl)methanamine Drug Info Ki = 14800 nM [9]
(5-pyridin-3-yl-furan-2-yl)methanethiol Drug Info Ki = 700 nM [9]
1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one Drug Info IC50 = 2000 nM [10]
1-(3,4-DICHLOROPHENYL)-6-(METHOXYMETHYL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX) Drug Info IC50 = 3000 nM [19]
1-(4-Butoxy-phenyl)-1H-imidazole Drug Info IC50 = 460 nM [2]
1-(METHOXYMETHYL)-6-(NAPHTHALEN-2-YL)-3-AZABICYCLO[4.1.0]HEPTANE (ENANTIOMERIC MIX) Drug Info IC50 = 8000 nM [19]
1H-1,2,3-benzotriazol-1-amine Drug Info IC50 = 10500 nM [1]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole Drug Info IC50 = 680 nM [18]
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine Drug Info IC50 = 1040 nM [2]
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol Drug Info IC50 = 1500 nM [16]
2-Hexyloxy-5-imidazol-1-yl-pyridine Drug Info IC50 = 1000 nM [2]
2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 620 nM [2]
3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine Drug Info IC50 = 11100 nM [13]
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 1300 nM [2]
4-(3-Pent-1-ynyl-benzyl)-1H-imidazole Drug Info IC50 = 644 nM [11]
4-(3-Phenylethynyl-benzyl)-1H-imidazole Drug Info IC50 = 488 nM [11]
4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide Drug Info IC50 = 440 nM [15]
4-methylaminomethyl-7-methoxycoumarin Drug Info IC50 = 10000 nM [20]
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine Drug Info IC50 = 399 nM [2]
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine Drug Info IC50 = 1040 nM [2]
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol Drug Info IC50 = 1500 nM [16]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol Drug Info IC50 = 1500 nM [16]
6-(3,4-DICHLOROPHENYL)-1-[1-(METHYLOXY)-3-BUTEN-1-YL]-3-AZABICYCLO[4.1.0]HEPTANE (DIASTEREOMERIC MIX) Drug Info IC50 = 3000 nM [19]
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine Drug Info IC50 = 12900 nM [4]
BMS-694153 Drug Info IC50 = 1600 nM [12]
BS 7581 Drug Info IC50 = 150 nM [8]
BS 7840 Drug Info IC50 = 60 nM [8]
BS 9106 Drug Info IC50 = 260 nM [8]
BUCINDOLOL Drug Info IC50 = 50 nM [7]
Desethyl isoquine Drug Info IC50 = 3400 nM [14]
DIHYDROCUBEBIN Drug Info IC50 = 17500 nM [5]
GB-12819 Drug Info IC50 = 1210 nM [8]
GBR 12530 Drug Info IC50 = 210 nM [8]
GBR-12289 Drug Info IC50 = 15000 nM [8]
GNF-PF-2094 Drug Info IC50 = 4200 nM [17]
GNF-PF-4292 Drug Info Ki = 8000 nM [21]
GNF-PF-5411 Drug Info Ki = 7500 nM [21]
Go-Y022 Drug Info IC50 = 600 nM [10]
ICI-199441 Drug Info IC50 = 26 nM [6]
ISOQUINE Drug Info IC50 = 7000 nM [14]
ISOQUINE Drug Info IC50 = 3000 nM [14]
Kaempferol-3-O-methyl ether Drug Info IC50 = 4630 nM [3]
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine Drug Info IC50 = 14400 nM [4]
Prodipine Drug Info Ki = 4.8 nM [21]
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 Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.
REF 3 Sesquiterpenes and flavonol glycosides from Zingiber aromaticum and their CYP3A4 and CYP2D6 inhibitory activities. J Nat Prod. 2004 Jul;67(7):1079-83.
REF 4 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 5 Potent CYP3A4 inhibitory constituents of Piper cubeba. J Nat Prod. 2005 Jan;68(1):64-8.
REF 6 Arylacetamide kappa opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity. Bioorg Med Chem Lett. 2005 May 16;15(10):2647-52.
REF 7 A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series. Bioorg Med Chem Lett. 2005 Sep 1;15(17):3816-20.
REF 8 Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking. J Med Chem. 2006 Apr 20;49(8):2417-30.
REF 9 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 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 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists. J Med Chem. 2008 May 22;51(10):2944-53.
REF 12 Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan... J Med Chem. 2008 Aug 28;51(16):4858-61.
REF 13 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 14 Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
REF 15 Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) b... J Med Chem. 2009 Sep 24;52(18):5685-702.
REF 16 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 17 Synthesis and antiplasmodial activity of novel 2,4-diaminopyrimidines. Bioorg Med Chem Lett. 2010 Jan 1;20(1):228-31.
REF 18 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 19 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 20 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 21 Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. J Med Chem. 1993 Apr 30;36(9):1136-45.

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