Target Validation Information
TTD ID T06273
Target Name Poly [ADP-ribose] polymerase 1 (PARP1)
Type of Target
Successful
Drug Potency against Target Nicotinamide Drug Info IC50 = 7800000 nM [16]
BSI-201 Drug Info EC50 = 1.4 nM [15]
Rucaparib Drug Info Ki < 5 nM
(E)-N-(4-Phenylthiazol-2-yl) cinnamamide Drug Info IC50 = 224 nM [8]
1,2,3,4,4a,5-hexahydrophenanthridin-6(10bH)-one Drug Info IC50 = 7500 nM [8]
1,7,8,9-tetrahydro-1,5-diaza-trindene-4,6-dione Drug Info IC50 = 40 nM [5]
2,3-dihydro-1H-benzo[de]isoquinolin-1-one Drug Info IC50 = 540 nM [12]
2,8-Dimethyl-3H-quinazolin-4-one Drug Info IC50 = 390 nM [13]
2-(2-Chlorophenyl)-2H-indazole-7-carboxamide Drug Info IC50 = 100 nM [11]
2-(3-Chlorophenyl)-2H-indazole-7-carboxamide Drug Info IC50 = 14 nM [11]
2-(3-Piperidin-1-yl-propyl)-3H-quinazolin-4-one Drug Info IC50 = 1100 nM [1]
2-(4-Amino-phenyl)-8-hydroxy-3H-quinazolin-4-one Drug Info IC50 = 520 nM [13]
2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one Drug Info IC50 = 440 nM [13]
2-(4-Azido-phenyl)-8-methoxy-3H-quinazolin-4-one Drug Info IC50 = 1930 nM [13]
2-(4-Chlorophenyl)-2H-indazole-7-carboxamide Drug Info IC50 = 24 nM [11]
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one Drug Info IC50 = 220 nM [13]
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one Drug Info IC50 = 190 nM [13]
2-(4-methoxyphenyl)quinoline-8-carboxamide Drug Info IC50 = 1100 nM [7]
2-Benzyl-2H-indazole-7-carboxamide Drug Info IC50 = 130 nM [11]
2-ethylquinoline-8-carboxamide Drug Info IC50 = 800 nM [7]
2-Methylquinoline-8-carboxamide Drug Info IC50 = 500 nM [7]
2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide Drug Info IC50 = 71 nM [11]
2-phenyl-2H-indazole-7-carboxamide Drug Info IC50 = 24 nM [11]
2-phenylpyrazolo-[1,5-a]pyridine-7-carboxamide Drug Info IC50 = 55 nM [11]
2-phenylquinoline-8-carboxamide Drug Info IC50 = 900 nM [7]
2H-Isoquinolin-1-one Drug Info IC50 = 15800 nM [13]
3-(4-aminophenyl)quinoxaline-5-carboxamide Drug Info IC50 = 87 nM [8]
3-(4-cyanophenyl)quinoxaline-5-carboxamide Drug Info IC50 = 101 nM [8]
3-(4-methoxyphenyl)quinoxaline-5-carboxamide Drug Info IC50 = 71 nM [8]
3-aminobenzamide Drug Info IC50 = 19100 nM [13]
3-aminobenzo[c][1,5]naphthyridin-6(5H)-one Drug Info IC50 = 180 nM [8]
3-Ethenylquinoline-8-carboxamide Drug Info IC50 = 5800 nM [7]
3-Ethylquinoline-8-carboxamide Drug Info IC50 = 3700 nM [7]
3-Ethynylquinoline-8-carboxamide Drug Info IC50 = 2300 nM [7]
3-Hydroxy-benzamide Drug Info IC50 = 8000 nM [13]
3-Methylquinoline-8-carboxamide Drug Info IC50 = 3400 nM [7]
3-Morpholin-4-ylmethyl-5H-phenanthridin-6-one Drug Info IC50 = 23 nM [4]
3-Phenylquinoline-8-carboxamide Drug Info IC50 = 15000 nM [7]
3-Prop-1-ynylquinoline-8-carboxamide Drug Info IC50 = 2200 nM [7]
4-(4-Morpholin-4-yl-butyl)-2H-phthalazin-1-one Drug Info IC50 = 950 nM [4]
4-(5-Morpholin-4-yl-pentyl)-2H-phthalazin-1-one Drug Info IC50 = 119 nM [4]
4-amino-1,8-naphthalimide Drug Info IC50 = 26 nM [5]
4-benzylphthalazin-1(2H)-one Drug Info IC50 = 770 nM [8]
4-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione Drug Info IC50 = 2000 nM [5]
5-amino-3,4-dihydroisoquinolin-1(2H)-one Drug Info IC50 = 410 nM [12]
5-aminoisoquinolin-1(2H)-one Drug Info IC50 = 1800 nM [7]
5-Chloro-2-methyl-3H-quinazolin-4-one Drug Info IC50 = 1200 nM [1]
5-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione Drug Info IC50 = 5000 nM [5]
8-Amino-6H,11H-indeno[1,2-c]isoquinolin-5-one Drug Info IC50 = 300 nM [3]
8-Fluoro-6H,11H-indeno[1,2-c]isoquinolin-5-one Drug Info IC50 = 500 nM [3]
8-Hydroxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one Drug Info IC50 = 230 nM [13]
8-Hydroxy-2-phenyl-3H-quinazolin-4-one Drug Info IC50 = 1060 nM [13]
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one Drug Info IC50 = 850 nM [13]
8-Methoxy-2-methyl-3H-quinazolin-4-one Drug Info IC50 = 780 nM [13]
8-Methoxy-2-phenyl-3H-quinazolin-4-one Drug Info IC50 = 4200 nM [13]
8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one Drug Info IC50 = 130 nM [13]
8-Methyl-2-phenyl-3H-quinazolin-4-one Drug Info IC50 = 870 nM [13]
8-Nitro-6H,11H-indeno[1,2-c]isoquinolin-5-one Drug Info IC50 = 500 nM [3]
9-Amino-6H,11H-indeno[1,2-c]isoquinolin-5-one Drug Info IC50 = 98 nM [3]
9-Fluoro-6H,11H-indeno[1,2-c]isoquinolin-5-one Drug Info IC50 = 650 nM [3]
ABT-888 Drug Info Ki = 5 nM [9]
AG-014376 Drug Info Ki = 6.4 nM [2]
Benzo[c][1,5]naphthyridin-6(5H)-one Drug Info IC50 = 116 nM [8]
CEP-6800 Drug Info IC50 = 18 nM [6]
KU-0058948 Drug Info IC50 = 3.4 nM [10]
KU-58684 Drug Info IC50 = 5 nM [8]
N-(4-Phenylthiazol-2-yl)isonicotinamide Drug Info IC50 = 753 nM [8]
Olaparib Drug Info IC50 = 6 nM [14]
PD-128763 Drug Info IC50 = 440 nM [13]
Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione Drug Info IC50 = 10000 nM [5]
Pyrrolo[3,4-e]indole-1,3(2H,6H)-dione Drug Info IC50 = 750 nM [5]
Quinoline-8-carboxamide Drug Info IC50 = 1900 nM [7]
References
REF 1 Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase. J Med Chem. 2004 Aug 12;47(17):4151-4.
REF 2 Design, synthesis, and evaluation of 3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-ones as inhibitors of poly(ADP-ribose) polymerase. J Med Chem. 2004 Oct 21;47(22):5467-81.
REF 3 Discovery of potent poly(ADP-ribose) polymerase-1 inhibitors from the modification of indeno[1,2-c]isoquinolinone. J Med Chem. 2005 Aug 11;48(16):5100-3.
REF 4 4-Phenyl-1,2,3,6-tetrahydropyridine, an excellent fragment to improve the potency of PARP-1 inhibitors. Bioorg Med Chem Lett. 2005 Oct 1;15(19):4221-5.
REF 5 Synthesis and structure-activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors. Bioorg Med Chem Lett. 2006 Feb 15;16(4):938-42.
REF 6 Novel poly(ADP-ribose) polymerase-1 inhibitors. Bioorg Med Chem Lett. 2007 Jan 15;17(2):542-5.
REF 7 Design, synthesis, and evaluation in vitro of quinoline-8-carboxamides, a new class of poly(adenosine-diphosphate-ribose)polymerase-1 (PARP-1) inhi... J Med Chem. 2009 Feb 12;52(3):868-77.
REF 8 Design, synthesis, and cytoprotective effect of 2-aminothiazole analogues as potent poly(ADP-ribose) polymerase-1 inhibitors. J Med Chem. 2009 Feb 12;52(3):718-25.
REF 9 Discovery of the Poly(ADP-ribose) polymerase (PARP) inhibitor 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (ABT-888) for the trea... J Med Chem. 2009 Jan 22;52(2):514-23.
REF 10 Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3. J Med Chem. 2009 May 14;52(9):3108-11.
REF 11 Discovery of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor effica... J Med Chem. 2009 Nov 26;52(22):7170-85.
REF 12 Discovery and SAR of novel, potent and selective hexahydrobenzonaphthyridinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1). Bioorg Med Chem Lett. 2010 Jan 15;20(2):448-52.
REF 13 Resistance-modifying agents. 5. Synthesis and biological properties of quinazolinone inhibitors of the DNA repair enzyme poly(ADP-ribose) polymeras... J Med Chem. 1998 Dec 17;41(26):5247-56.
REF 14 4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymera... J Med Chem. 2008 Oct 23;51(20):6581-91.
REF 15 Positive allosteric modulators of the metabotropic glutamate receptor subtype 2 (mGluR2). Curr Top Med Chem. 2005;5(9):869-84.
REF 16 Modulation of inflammatory arthritis by inhibition of poly(ADP ribose) polymerase. Inflammation. 1995 Jun;19(3):379-87.

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