Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T22976 | Target Info | |||
| Target Name | Thymidine kinase 2 (Mt-TK2) | ||||
| Synonyms |
dnk; Multispecific deoxynucleoside kinase; Dm-Dnk; Deoxyribonucleoside kinase
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| Target Type | Clinical trial Target | ||||
| Gene Name | dnk | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 8 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[(2R,3S,4R,5R)-2-[5-[(E)-2-Bromoethenyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL398594; BDBM50206498; 1-[2''-O-(N-boc-4-aminobutanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil
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| Activity |
IC50 = 55000 nM
|
[1] | |||
| Compound Name |
[(2R,3S,4R,5R)-2-[5-[(E)-2-Bromoethenyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240510; BDBM50206493; 1-[2''-O-(N-boc-6-aminohexanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil
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| Activity |
IC50 = 61000 nM
|
[1] | |||
| Compound Name |
1-(2''-O-Phenylacetyl-beta-D-arabinofuranosyl)-5(E)-(2-bromovinyl)uracil
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241407; BDBM50206508
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| Activity |
IC50 = 74000 nM
|
[1] | |||
| Compound Name |
Decanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL400618; CHEMBL28291; BDBM50100411; BDBM50206484; 2'beta-(Decanoyloxy)-5-[(E)-2-bromoethenyl]-2'-deoxyuridine
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| Activity |
IC50 = 97000 nM
|
[1] | |||
| Compound Name |
5-Methyl-1-[(Z)-4-[(1-methylpyridin-1-ium-4-yl)-diphenylmethoxy]but-2-enyl]pyrimidine-2,4-dione;iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL219908
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| Activity |
IC50 = 114000 nM
|
[2] | |||
| Compound Name |
1-(2''-O-Octanoyl-beta-D-arabinofuranosyl)thymine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240124; BDBM50206494
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| Activity |
IC50 = 120000 nM
|
[1] | |||
| Compound Name |
1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL400411; BDBM50206490; 2'beta-(Octyloxy)thymidine; CHEMBL418021; BDBM50100414; 1-(2''-O-octyl-beta-D-arabinofuranosyl)thymine
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| Activity |
IC50 = 120000 nM
|
[1] | |||
| Compound Name |
1-[2''-O-(4-Aminobutanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL400233; BDBM50206497
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| Activity |
IC50 = 187000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 17 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Cytarabine
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Approved | Compound Info | ||
| Synonyms |
Alexan; AraC; Arabinocytidine; Arabinofuranosylcytosine; Arabinosylcytosine; Arabitin; Aracytidine; Aracytin; Aracytine; Arafcyt; Citarabina; Cytarabin; Cytarabina; Cytarabinoside; Cytarabinum; Cytarbel; Cytonal; Cytosar; Cytosinearabinoside; DepoCyte; Depocyt; Erpalfa; Iretin; Spongocytidine; Tarabine; Udicil; Arabinosyl Cytosine; Cytarabine liposome injection; Cytosine arabinofuranoside; Cytosine arabinose; Cytosine arabinoside; AR3; BTB15125; CHX 3311; U 19920A; Ara-C; Ara-Cytidine; Beta-Ara C; Beta-Arabinosylcytosine; Beta-cytosine arabinoside; Citarabina [INN-Spanish]; Cytarabinum [INN-Latin]; Cytosar-U; Cytosine arabinoside (VAN); Depocyt (TN); Depocyt (liposomal); Intrathecal (injected into the spinal fluid) DepoCyt; U-19920; Beta-D-Arabinosylcytosine; Cytosar-U (TN); Cytosine beta-D-arabinofuranoside; Cytosine beta-D-arabinofuranoside hydrochloride; Cytosine beta-D-arabinoside; Cytosine-beta-arabinoside; Intrathecal cytarabine (also known as ara-C); U-19,920; CYTARABINE (SEE ALSO CYTARABINE HYDROCHLORIDE 69-74-9); Cytarabine (JP15/USP/INN); Cytarabine [USAN:INN:BAN:JAN]; Cytosine 1-beta-D-arabinofuranoside; Cytosine, beta-D-arabinoside; Cytosine-beta-D-arabinofuranoside; Cytosine-1-beta-D-arabinofuranoside; Ara-C, Cytosine Arabinoside, Cytosar-U, Cytarabine; (beta-D-Arabinofuranosyl)cytosine; 1-.beta.-D-arabinofuranosyl-cytosine; 1-Arabinofuranosylcytosine; 1-beta-D-Arabinofaranosylcytosine; 1-beta-D-Arabinofuranosyl-4-amino-2(1H)pyrimidinone; 1-beta-D-Arabinofuranosylcytosine; 1-beta-D-Arabinofuranosylcytosine, Cytosine Arabinoside; 1-beta-D-Arabinosylcytosine; 1beta-Arabinofuranasylcytosine; 1beta-D-Arabinofuranosylcytosine; 1beta-D-Arabinosylcytosine; 2(1H)-Pyrimidinone, 4-amino-1-D-arabinofuranosyl-[CAS]; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidin [Czech]; 4-Amino-1-arabinofuranosyl-2-oxo-1,2-dihydropyrimidine; 4-Amino-1-b-D-arabinofuranosyl-2-(1H)-pyrimidinone; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinon [Czech]; 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone; 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
Spongothymidine
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Investigative | Compound Info | ||
| Synonyms |
Arabinosylthymine; Thymine arabinoside; 1-beta-D-Arabinofuranosylthymine; UNII-NS9U4BEG7Y; ara-T; Spongothymidin; THYMINE-beta-D-ARABINOFURANOSIDE; NS9U4BEG7Y; CHEMBL103283; 1-(b-D-Arabinofuranosyl)thymine; 1-(beta-D-arabinofuranosyl)thymine; MFCD00065474; Thymine 1-beta-D-arabinofuranoside; EINECS 210-083-7; NSC 68929; BRN 0090166; Thymine-beta-D -arabinofuranoside; Thymine, 1-beta-D-arabinofuranosyl-; 1-beta-D-Arabinofuranosyl-5-methyl-(1H,3H)-pyrimidine-2,4-dione; Thymine-b-d-arabinofuranoside; 4-24-00-01308 (Beilstein Handbook Reference); SCHEMBL1619684; CTK8G3460; ZINC5765081; 2,4(1H,3H)-Pyrimidinedione, 1-.beta.-D-arabinofuranosyl-5-methyl-; BDBM50132291; Thymine, 1-.beta.-D-arabinofuranoside; C16744; 605T232; Thymine, 1-beta-D-arabinofuranosyl- (VAN) (8CI); Q27149733; 2,4(1H,3H)-Pyrimidinedione, 1-beta-D-arabinofuranosyl-5-methyl- (9CI)
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| Activity |
IC50 = 285000 nM
|
[1] | |||
| Compound Name |
Methoxy-acetic acid 2-[5-(2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL399413; CHEMBL26672; BDBM50100415; BDBM50206483; 2'beta-(Methoxyacetoxy)-5-[(E)-2-bromoethenyl]-2'-deoxyuridine
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| Activity |
IC50 = 402000 nM
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[1] | |||
| Compound Name |
1-(2''-N-Nonylcarboxamido-2''-deoxy-beta-D-arabinofuranosyl)thymine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL401439; BDBM50206504
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| Activity |
IC50 = 480000 nM
|
[1] | |||
| Compound Name |
9-(2''-O-Pentanoyl-beta-D-arabinofuranosyl)guanine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL401029; BDBM50206499
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
9-beta-d-Arabinofuranosylguanine
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Investigative | Compound Info | ||
| Synonyms |
9-(beta-D-Arabinofuranosyl)guanine; Ara-G hydrate; 9-Arabinofuranosylguanine; Ara-G; 9-beta-Arabinosylguanine; 9-(b-d-arabinofuranosyl)guanine; UNII-0Z99WX0GPF; 0Z99WX0GPF; CHEMBL240933; MFCD00065486; 9-(BETA-D-ARABINOFURANOSYL)-GUANINE; 2-amino-9-(beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one; Guanine arabinoside; 9-b-D-Arabinofuranosylguanine; NSC 76352; Guanine, 9-(beta-D-arabinofuranosyl)-; Arabinofuranosyl-guanine; 6H-Purin-6-one, 2-amino-9-beta-D-arabinofuranosyl-1,9-dihydro-; 9--d-arabinofuranosylguanine; SCHEMBL34912; 9- -D-arabinofuranosylguanine; SCHEMBL11529318; Arabinofuranosyl-guanine (ara-G); 9-beta-D-arabinofuranosylguanosine; DTXSID301019130; HMS3263D20; Guanine 9-beta-D-Arabinofuranoside; BCP12606; KS-00000DP6; ZINC6585367; Tox21_501219; BDBM50206506; AKOS016003883; CCG-222523; LP01219; SDCCGSBI-0633806.P001; VZ31092; NCGC00261904-01; NCGC00487230-02; 9-beta-D-Arabinofuranosyl guanine hydrate; AC-32194; Ara-G hydrate, >=98% (HPLC), solid; DS-14591; A2739; J-700337; 2-Amino-6-hydroxy-9-(beta-D-arabinofuranosyl)purine; Q27140338; 6H-Purin-6-one,2-amino-9-b-D-arabinofuranosyl-1,9-dihydro-
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| Activity |
IC50 > 500000 nM
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[1] | |||
| Compound Name |
3'-[3-[3-(Trifluoromethyl)-4-chlorophenyl]thioureido]-5'-O-trityl-3'-deoxythymidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1092055; BDBM50314846
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| Activity |
IC50 > 500000 nM
|
[3] | |||
| Compound Name |
N2-Octanoyl-9-(2''-O-octanoyl-beta-D-arabinofuranosyl)guanine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241166; BDBM50206500
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
9-(2''-O-Octanoyl-beta-D-arabinofuranosyl)guanine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241793; BDBM50206501
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| Activity |
IC50 > 500000 nM
|
[1] | |||
| Compound Name |
N3-Octyl-1-(beta-D-arabinofuranosyl)thymine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241196; BDBM50206489
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| Activity |
IC50 > 500000 nM
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[1] | |||
| Compound Name |
1-[2''-O-(6-Aminohexanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL240717; BDBM50206492
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| Activity |
IC50 > 500000 nM
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[1] | |||
| Compound Name |
Chembl285105
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3143826; BDBM50100406
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| Activity |
IC50 = 801000 nM
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[4] | |||
| Compound Name |
1-(3-Benzyloxy-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241195; 2'beta-(Benzyloxy)thymidine; BDBM50206487; 1-(2''-O-benzyl-beta-D-arabinofuranosyl)thymine
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| Activity |
IC50 = 801000 nM
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[1] | |||
| Compound Name |
N3-Octyl-1-(2''-O-octyl-beta-D-arabinofuranosyl)thymine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241406; BDBM50206486
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
1-(2''-O-Octyl-beta-D-arabinofuranosyl)cytosine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL400234; BDBM50206485
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3143823; CHEMBL282529; 2'beta-(Octyloxy)-2'-deoxycytidine; BDBM50100408
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| Activity |
IC50 > 1000000 nM
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[4] | |||
| Compound Name |
Pentanoic acid 4-hydroxy-5-hydroxymethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL392346; BDBM50206503; 2'beta-(Valeryloxy)thymidine; CHEMBL280754; BDBM50100410; 1-(2''-O-pentanoyl-beta-D-arabinofuranosyl)thymine
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Novel selective human mitochondrial kinase inhibitors: design, synthesis and enzymatic activity. Bioorg Med Chem. 2007 Apr 15;15(8):3065-81. | ||||
| REF 2 | N1-substituted thymine derivatives as mitochondrial thymidine kinase (TK-2) inhibitors. J Med Chem. 2006 Dec 28;49(26):7766-73. | ||||
| REF 3 | 3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase. J Med Chem. 2010 Apr 8;53(7):2902-12. | ||||
| REF 4 | Design, synthesis and enzymatic activity of highly selective human mitochondrial thymidine kinase inhibitors. Bioorg Med Chem Lett. 2001 May 21;11(10):1329-32. | ||||
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