Target Information
| Target General Information | Top | |||||
|---|---|---|---|---|---|---|
| Target ID |
T52389
(Former ID: TTDC00200)
|
|||||
| Target Name |
Quinone reductase 1 (NQO1)
|
|||||
| Synonyms |
Qui reductase 1; QR1; Phylloquinone reductase; Phylloqui reductase; NMOR1; NAD(P)H:quinone oxidoreductase 1; NAD(P)H dehydrogenase [quinone] 1; Menadione reductase; DTD; DT-diaphorase 1; DT-diaphorase; DIA4; Azoreductase
|
|||||
| Gene Name |
NQO1
|
|||||
| Target Type |
Clinical trial target
|
[1] | ||||
| Disease | [+] 6 Target-related Diseases | + | ||||
| 1 | Choreiform disorder [ICD-11: 8A01] | |||||
| 2 | CNS anomalies syndrome [ICD-11: LD20] | |||||
| 3 | Inborn energy metabolism error [ICD-11: 5C53] | |||||
| 4 | Intellectual development disorder [ICD-11: LD90] | |||||
| 5 | Pancreatic cancer [ICD-11: 2C10] | |||||
| 6 | Solid tumour/cancer [ICD-11: 2A00-2F9Z] | |||||
| Function |
The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinons involved in detoxification pathways as well as in biosynthetic processes such as the vitamin K-dependent gamma-carboxylation of glutamate residues in prothrombin synthesis.
Click to Show/Hide
|
|||||
| BioChemical Class |
NADH/NADPH oxidoreductase
|
|||||
| UniProt ID | ||||||
| EC Number |
EC 1.6.5.2
|
|||||
| Sequence |
MVGRRALIVLAHSERTSFNYAMKEAAAAALKKKGWEVVESDLYAMNFNPIISRKDITGKL
KDPANFQYPAESVLAYKEGHLSPDIVAEQKKLEAADLVIFQFPLQWFGVPAILKGWFERV FIGEFAYTYAAMYDKGPFRSKKAVLSITTGGSGSMYSLQGIHGDMNVILWPIQSGILHFC GFQVLEPQLTYSIGHTPADARIQILEGWKKRLENIWDETPLYFAPSSLFDLNFQAGFLMK KEVQDEEKNKKFGLSVGHHLGKSIPTDNQIKARK Click to Show/Hide
|
|||||
| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| HIT2.0 ID | T38EQ6 | |||||
| Drugs and Modes of Action | Top | |||||
|---|---|---|---|---|---|---|
| Clinical Trial Drug(s) | [+] 3 Clinical Trial Drugs | + | ||||
| 1 | ARQ 761 | Drug Info | Phase 2 | Pancreatic cancer | [2] | |
| 2 | BioE-743 | Drug Info | Phase 2 | Leigh syndrome | [3] | |
| 3 | Coenzyme Q10 analog | Drug Info | Phase 2 | Huntington disease | [4] | |
| Mode of Action | [+] 2 Modes of Action | + | ||||
| Inhibitor | [+] 29 Inhibitor drugs | + | ||||
| 1 | ARQ 761 | Drug Info | [2] | |||
| 2 | 2-Benzyl-1-hydroxy-3H-benzo[f]chromen-3-one | Drug Info | [5] | |||
| 3 | 3-(3,4-Dimethylbenzyl)-4-hydroxy-2H-chromen-2-one | Drug Info | [5] | |||
| 4 | 3-Benzyl-4-hydroxy-2H-benzo[h]chromen-2-one | Drug Info | [5] | |||
| 5 | 3-Benzyl-4-hydroxy-2H-chromen-2-one | Drug Info | [5] | |||
| 6 | 3-Benzyl-4-hydroxy-6,7-dimethyl-2H-chromen-2-one | Drug Info | [5] | |||
| 7 | 4-amino-2H-chromen-2-one | Drug Info | [6] | |||
| 8 | 4-Hydroxy-3-(1-naphthylmethyl)-2H-chromen-2-one | Drug Info | [5] | |||
| 9 | 4-Hydroxy-3-(2-naphthylmethyl)-2H-chromen-2-one | Drug Info | [5] | |||
| 10 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | Drug Info | [7] | |||
| 11 | Duroquinone | Drug Info | [7] | |||
| 12 | ES-936 | Drug Info | [8] | |||
| 13 | Ethyl Bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetate | Drug Info | [5] | |||
| 14 | Flavin-Adenine Dinucleotide | Drug Info | [7] | |||
| 15 | NSC-106080 | Drug Info | [9] | |||
| 16 | NSC-106547 | Drug Info | [10] | |||
| 17 | NSC-2113 | Drug Info | [10] | |||
| 18 | NSC-224124 | Drug Info | [10] | |||
| 19 | NSC-275420 | Drug Info | [10] | |||
| 20 | NSC-316158 | Drug Info | [10] | |||
| 21 | NSC-339580 | Drug Info | [10] | |||
| 22 | NSC-339583 | Drug Info | [10] | |||
| 23 | NSC-354279 | Drug Info | [10] | |||
| 24 | NSC-621351 | Drug Info | [9] | |||
| 25 | NSC-645808 | Drug Info | [10] | |||
| 26 | NSC-645827 | Drug Info | [10] | |||
| 27 | NSC-65069 | Drug Info | [9] | |||
| 28 | NSC-73410 | Drug Info | [10] | |||
| 29 | NSC-99528 | Drug Info | [9] | |||
| Modulator | [+] 2 Modulator drugs | + | ||||
| 1 | BioE-743 | Drug Info | [3] | |||
| 2 | Coenzyme Q10 analog | Drug Info | [1] | |||
| Chemical Structure based Activity Landscape of Target | Top |
|---|---|
| Drug Property Profile of Target | Top | |
|---|---|---|
| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
|
|
||
| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
|
|
||
| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
|
|
||
| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Target Poor or Non Binders | Top | |||||
|---|---|---|---|---|---|---|
| Target Poor or Non Binders | ||||||
| Target Regulators | Top | |||||
|---|---|---|---|---|---|---|
| Target-regulating Transcription Factors | ||||||
| Target-interacting Proteins | ||||||
| Target Profiles in Patients | Top | |||||
|---|---|---|---|---|---|---|
| Target Expression Profile (TEP) | ||||||
| Target Affiliated Biological Pathways | Top | |||||
|---|---|---|---|---|---|---|
| KEGG Pathway | [+] 1 KEGG Pathways | + | ||||
| 1 | Ubiquinone and other terpenoid-quinone biosynthesis | |||||
| NetPath Pathway | [+] 1 NetPath Pathways | + | ||||
| 1 | TCR Signaling Pathway | |||||
| Pathwhiz Pathway | [+] 1 Pathwhiz Pathways | + | ||||
| 1 | Vitamin K Metabolism | |||||
| PID Pathway | [+] 1 PID Pathways | + | ||||
| 1 | Validated transcriptional targets of TAp63 isoforms | |||||
| WikiPathways | [+] 11 WikiPathways | + | ||||
| 1 | Estrogen metabolism | |||||
| 2 | Oxidative Stress | |||||
| 3 | Transcriptional activation by NRF2 | |||||
| 4 | NRF2 pathway | |||||
| 5 | Nuclear Receptors Meta-Pathway | |||||
| 6 | Aryl Hydrocarbon Receptor Pathway | |||||
| 7 | Apoptosis-related network due to altered Notch3 in ovarian cancer | |||||
| 8 | Metabolism of amino acids and derivatives | |||||
| 9 | Aryl Hydrocarbon Receptor | |||||
| 10 | Dopamine metabolism | |||||
| 11 | Arylhydrocarbon receptor (AhR) signaling pathway | |||||
| Target-Related Models and Studies | Top | |||||
|---|---|---|---|---|---|---|
| Target Validation | ||||||
| References | Top | |||||
|---|---|---|---|---|---|---|
| REF 1 | Therapeutic strategies for Leber's hereditary optic neuropathy: A current update. Intractable Rare Dis Res. 2013 November; 2(4): 130-135. | |||||
| REF 2 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||||
| REF 3 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||||
| REF 4 | ClinicalTrials.gov (NCT02352896) Long-Term Safety and Efficacy Evaluation of EPI-743 in Children With Leigh Syndrome. U.S. National Institutes of Health. | |||||
| REF 5 | 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 6 | 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 7 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 8 | Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) ... J Med Chem. 2007 Nov 15;50(23):5780-9. | |||||
| REF 9 | 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 10 | In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54. | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.