Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T93026 | Target Info | |||
| Target Name | Quinone reductase (NQO) | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NO-GeName | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 20 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Dabigatran
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Pradaxa (TN)
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
Ki = 60000 nM
|
[1] | ||
| Compound Name |
NSC-381864
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
108957-73-9; NSC-381864; (E)-3'-Hydroxy-3,5,4'-trimethoxystilbene; CHEMBL419378; 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol; 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol; 4,3',5'-Tri-O-methylpiceatannol; NSC381864; AC1NTOCZ; (E) -3'-hydroxy-3,5,4'-Trimethoxystilbene; SCHEMBL1743354; SCHEMBL1743353; (E)-5-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol; UQIWTPQGJCCTPA-SNAWJCMRSA-N; MolPort-019-990-180; ZINC1591410; BDBM50332182; AKOS015914978; 4,3'',5''-tri-O-methylpiceatannol; AC-24233; AN-33692
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 80000 nM
|
[2] | ||
| Compound Name |
Chembl239843
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC686385; CHEMBL84518; CTK8C7666; BDBM50055688; NSC-686385; NCI60_031105; 3,3'-[3,5-Bis(benzyloxy)benzylidene]bis[4-hydroxycoumarin]; 3,3'-{[3,5-bis(benzyloxy)phenyl]methanediyl}bis(2-hydroxy-4h-chromen-4-one)
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 50000 nM
|
[3] | ||
| Compound Name |
Casimiroin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNII-1X2A1U6BH3; 6-methoxy-9-methyl-[1,3]dioxolo[4,5-h]quinolin-8-one; 1X2A1U6BH3; 6-Methoxy-9-methyl-(1,3)dioxolo(4,5-h)quinolin-8(9H)-one; 1,3-Dioxolo(4,5-h)quinolin-8(9H)-one, 6-methoxy-9-methyl-; 6-Methoxy-9-methyl-[1,3]dioxolo[4,5-h]quinolin-8(9H)-one; CHEMBL492762; SCHEMBL6244731; BDBM29210; CTK1D6483; DTXSID90197256; 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one; ZINC900156; DB08744; C10654; Q27097930; 4-Methoxy-1-methyl-7,8-methylenedioxy-2(1H)-quinolinone; 6-Methoxy-9-methyl-1,3-Dioxolo(4,5-h)quinolin-8(9H)-one; 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9 h)-one; 6-Methoxy-9-methyl-1,3-dioxolo[4,5-h]quinolin-8(9H)-one, 9CI; 6-Methoxy-9-methyl-9-hydro-2H-1,3-dioxolano[4,5-h]quinolin-8-one; 6-METHOXY-9-METHYL-2H,8H,9H-[1,3]DIOXOLO[4,5-H]QUINOLIN-8-ONE
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 = 54100 nM
|
[4] | ||
| Compound Name |
3-[4-Di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methyl]-4,7-dihydroxy-2H-2-chromenone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC682613; CHEMBL32711; CHEMBL437179; BDBM50055711; NSC-682613; NCI60_029591; 3,3',3'',3'''-(1,4-Dimethylenophenyl)tetrakis[4,7-dihydroxycoumarin]
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 55000 nM
|
[3] | ||
| Compound Name |
[Acetyl(methylcarbamoyl)amino] carbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220838; BDBM50195865
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 55000 nM
|
[5] | ||
| Compound Name |
5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC648422; NSC-648422; CHEMBL1287924; ZINC1630897; BDBM50332185; CCG-35981; 5-[(E)-1-methyl-2-(3,4,5-trimethoxyphenyl)vinyl]-1,3-benzodioxole
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 55000 nM
|
[2] | ||
| Compound Name |
9-Hydroxyanthracene-1,4-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL221001; NSC-618201; 9-Hydroxy-1,4-anthraquinone; NSC618201; SCHEMBL14567096; DTXSID80326836; ZINC1613555; BDBM50195856; NCI60_005459
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 60000 nM
|
[5] | ||
| Compound Name |
4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]chromen-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC686384; CHEMBL238295; CHEMBL284384; BDBM50055716; NSC-686384; 3,3'-(4-Stilbenomethylene)bis[4-hydroxycoumarin]
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 60000 nM
|
[3] | ||
| Compound Name |
Tolazine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-methylphenazine; Phenazine, 2-methyl-; CHEMBL1802262; 2-Methylphenazin; SCHEMBL4359997; DTXSID70144046; ZINC4186665; BDBM50347473; NSC402914; AKOS002664692; NSC-402914
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 = 60800 nM
|
[6] | ||
| Compound Name |
Symmetric dicoumarol analogue, 9
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL568720; BDBM35533
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 63000 nM
|
[7] | ||
| Compound Name |
N-[(5-Methoxy-2-oxospiro[1H-indole-3,3'-bicyclo[2.2.1]heptane]-2'-yl)methyl]acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4076015; BDBM50269228
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 = 63000 nM
|
[8] | ||
| Compound Name |
1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC648420; NSC-648420; MLS003389234; CHEMBL1287923; CTK7A0094; (1,2,3-trimethoxynaphtho[2,1-f][1,3]benzodioxol-6-yl) acetate; ZINC1630895; BDBM50332184; NCI60_016810; SMR002048891; 1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-ylacetate
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 70000 nM
|
[2] | ||
| Compound Name |
3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC682614; CHEMBL238298; CHEMBL310188; 3,3'-Benzylidenebis(4,7-dihydroxycoumarin); 3,3'-Benzylidenebis[4,7-dihydroxycoumarin]; BDBM50055705; NSC-682614; NCI60_029592; 3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(phenyl)methyl]-4,7-dihydroxy-2H-2-chromenone
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 82000 nM
|
[3] | ||
| Compound Name |
Diethyl-[3-[(8-methoxy-11H-indolo[3,2-c]quinolin-6-yl)amino]propyl]amine;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC-664238; SMR001565712; NCI60_022117; CHEMBL608552; cid_379559; CHEMBL1740878; BDBM114943; ZINC1639179; N'',N''-diethyl-N-(8-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine;hydrochloride
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 90000 nM
|
[5] | ||
| Compound Name |
6-Benzyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
NSC628440; NSC-628440; CHEMBL220512; SCHEMBL8313203; ZINC6575296; BDBM50195852; NCI60_009162; 5H-Indolo[2,4-c]carbazole-5,7(6H)-dione, 12,13-dihydro-6-(phenylmethyl)-; {5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione,} 12, 13-dihydro-6-(phenylmethyl)-
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 90000 nM
|
[5] | ||
| Compound Name |
2-[[4-[2-(Dimethylamino)ethyl-methylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL541922; NSC-684664
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 95000 nM
|
[5] | ||
| Compound Name |
Dimethyl 7-acetamido-5-chloroquinoline-2,4-dicarboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1945621; BDBM50363362
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 ~ 100000 nM
|
[9] | ||
| Compound Name |
4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
4-chloro-1-methylpyrazolo[3,4-d]pyrimidine; NSC1424; NSC-1424; 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-; CHEMBL375123; 1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-1-methyl-; MFCD00661967; 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine; PubChem18649; NCIStruc1_000123; NCIStruc2_000250; SCHEMBL13510; CTK4F0658; DTXSID40277274; NCI1424; KS-000006XP; ZINC1576821; ANW-49192; BDBM50195863; CCG-37951; CL3547; NCGC00013007; SBB039490; STL252686; AKOS000117913; CS-W018697; MCULE-7980043347; PB24673; PS-3103; QC-4041; NCGC00013007-02; NCGC00096134-01; AK-27666; BR-27666; NCI60_000927; SY007121; AB0023595; 1-Methyl-4-chloropyrazolo[3,4-d]pyrimidine; AM20090237; FT-0692438; ST45179106; W4677; EN300-26080; S-3943; 1-Methyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine; W-206797; 4-CHLORO-1-METHYL-1H-PYRAZOL[3,4-D]PYRIMIDINE; F1902-0043
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 105000 nM
|
[5] | ||
| Compound Name |
4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220787; NSC-658835; NCI60_020690; BDBM50195858; ZINC16958396; ZINC101072541
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 150000 nM
|
[5] | ||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[(Z)-[2-(Diethoxyphosphorylamino)fluoren-9-ylidene]amino]thiourea
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL220517; NSC-102359; cid_3280136; BDBM50195854
Click to Show/Hide
|
||||
| Activity | Quinone reductase 1 |
IC50 = 250000 nM
|
[5] | ||
| Compound Name |
Casimiroin analogue, 1r
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL455593; BDBM29229
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 > 500000 nM
|
[4] | ||
| Compound Name |
Casimiroin analogue, 1q
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL493182; BDBM29228
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 > 500000 nM
|
[4] | ||
| Compound Name |
4-Methylquinolin-2-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-Hydroxy-4-methylquinoline; 4-methylquinolin-2(1H)-one; 4-Methyl-2-quinolinol; 2-Hydroxylepidine; 4-Methyl-2-quinolone; 4-Methylcarbostyril; 4-Methyl-2-hydroxyquinoline; 2(1H)-Lepidinone; 4-Methyl-1H-quinolin-2-one; 2-Lepidinol; 2(1H)-Quinolinone, 4-methyl-; 4-Methyl-2(1H)-quinolinone; 4-Methylquinolin-2-one; Carbostyril, 4-methyl-; NSC 2057; 4-methyl-quinolin-2-ol; AI3-00843; NSC2057; EINECS 210-139-0; Lepidine, 2-hydroxy; PubChem5862; 4-Methylquinol-2-one; ACMC-1ATIM; casimiroin analogue, 1c; 2-Quinolinol, 4-methyl-; Cc1cc([O])nc2ccccc12; 4-methylhydroquinolin-2-one; Oprea1_272485; Oprea1_547052; Oprea1_780405; cid_69088; MLS000096591; SCHEMBL377555; ARONIS003785; CHEMBL424414; BDBM29214; CTK3E9909; DTXSID20976132; HMS1722B17; HMS2320G05; ALBB-026701; BCP33184; KS-00001VO4; NSC-2057; ZINC8586366; 2-Hydroxy-4-methylquinoline, 97%; ANW-33569; BBL010584; MFCD00006745; SBB003978; STK038061; STL304705; 1,2-Dihydro-4-methyl-2-oxoquinoline; AKOS000120372; AKOS001041007; 3N-601S; DS-1525; MCULE-8758121655; QC-1595; SDCCGMLS-0027272.P002; Carbostyril, 4-methyl- (VAN) (8CI); NCGC00036814-02; NCGC00036814-03; NCGC00036814-04; NCGC00036814-05; NCGC00036814-06; NCGC00036814-07; AK-38350; BR-38350; SC-46615; SMR000062448; AB0026993; DB-053698; CS-0097736; FT-0612620; ST45023855; W8764; Y5486; S-4157; A832875; 4-Methylquinolin-2-ol;4-Methylquinolin-2(1H)-one; J-515819; Q27121422; F0109-0047; F0183-0103
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 > 500000 nM
|
[4] | ||
| Compound Name |
1,4-Dimethylquinoline-2,5,8(1H)-trione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
quinone, 12; CHEMBL450666; BDBM29230; 1,4-dimethylquinoline-2,5,8-trione
Click to Show/Hide
|
||||
| Activity | Quinone reductase 2 |
IC50 > 500000 nM
|
[4] | ||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Dabigatran and dabigatran ethyl ester: potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2). J Med Chem. 2012 Apr 26;55(8):3934-44. | ||||
| REF 2 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. | ||||
| REF 3 | Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human panc... J Med Chem. 2007 Dec 13;50(25):6316-25. | ||||
| REF 4 | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84. | ||||
| REF 5 | In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54. | ||||
| REF 6 | Potential chemopreventive agents based on the structure of the lead compound 2-bromo-1-hydroxyphenazine, isolated from Streptomyces species, strain CNS284. J Med Chem. 2010 Dec 23;53(24):8688-99. | ||||
| REF 7 | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J Med Chem. 2009 Nov 26;52(22):7142-56. | ||||
| REF 8 | Oxindole-based intraocular pressure reducing agents. Bioorg Med Chem Lett. 2017 Aug 15;27(16):3787-3793. | ||||
| REF 9 | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J Med Chem. 2012 Jan 12;55(1):367-77. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.