Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T55709 | Target Info | |||
| Target Name | Choline kinase (CHKA) | ||||
| Synonyms |
ChoK; CHKA; CHETK-alpha
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| Target Type | Clinical trial Target | ||||
| Gene Name | CHKA | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 21 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
8-[(2R)-1-(3,5-Difluorophenyl)pyrrolidin-2-yl]-6-(morpholine-4-carbonyl)-2-morpholino-chromen-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4060768; SCHEMBL13276616; HY-101517; CS-0021620
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
2-[[5-(4-Ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL2530593; CHEMBL3730963
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
4-Piperidin-1-yl-1-[[3-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium;dibromide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL186589
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| Activity |
IC50 = 52800 nM
|
[3] | |||
| Compound Name |
1-[[3-[3-[[7-Amino-8-methyl-4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-4-N,8-dimethyl-4-N-phenylquinolin-1-ium-4,7-diamine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL192379
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| Activity |
IC50 = 56800 nM
|
[4] | |||
| Compound Name |
1-[[4-[2-[4-[[7-Amino-4-(4-chloro-N-methylanilino)-8-methylquinolin-1-ium-1-yl]methyl]phenyl]ethyl]phenyl]methyl]-4-N-(4-chlorophenyl)-4-N,8-dimethylquinolin-1-ium-4,7-diamine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372647
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| Activity |
IC50 = 57500 nM
|
[4] | |||
| Compound Name |
1-[[4-[4-[(4-Amino-7-chloroquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-7-chloroquinolin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL192631
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| Activity |
IC50 = 63300 nM
|
[4] | |||
| Compound Name |
1-[[4-[2-[4-[(4-Aminoquinolin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]quinolin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL362961
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| Activity |
IC50 = 80000 nM
|
[4] | |||
| Compound Name |
1-[[4-[4-[(4-Aminoquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]quinolin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL370040
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| Activity |
IC50 = 81100 nM
|
[4] | |||
| Compound Name |
4-Pyrrolidin-1-yl-1-[[3-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL188935
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| Activity |
IC50 = 84200 nM
|
[3] | |||
| Compound Name |
[4-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
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Investigative | Compound Info | ||
| Synonyms |
4-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]benzylamine; {4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}methanamine; CHEMBL3763993; 1-{4-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl}methanamine; Benzenemethanamine,4-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-; (4-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine; SCHEMBL110133; CTK5F9956; DTXSID10594627; 1783AF; BDBM50145918; MFCD08435915; SBB098126; ZINC20217521; AS-9255; MCULE-3695376660; NE48762; DB-077309; FT-0727294; EN300-59498; J3.612.202A; Q27455973; 1-[4-(Aminomethyl)benzyl]-4-methylhexahydro-1H-1,4-diazepine; {4-[(4-methyl-1,4-diazaperhydroepinyl)methyl]phenyl}methylamine
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| Activity |
IC50 = 87000 nM
|
[5] | |||
| Compound Name |
1-[[4-[4-[[7-Amino-8-methyl-4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-4-N,8-dimethyl-4-N-phenylquinolin-1-ium-4,7-diamine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372679
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|
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| Activity |
IC50 = 96100 nM
|
[4] | |||
| Compound Name |
4-Piperidin-1-yl-1-[[(1S,2S)-2-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]cyclopropyl]methyl]pyridin-1-ium;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL365193
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| Activity |
IC50 = 98000 nM
|
[3] | |||
| Compound Name |
1-[[(1S,2S)-2-[[4-(3,5-Dichloro-N-methylanilino)pyridin-1-ium-1-yl]methyl]cyclopropyl]methyl]-N-(3,5-dichlorophenyl)-N-methylpyridin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL189334
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[[5-(4-Ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL2533394; CHEMBL3732503
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-Pyrrolidin-1-yl-1-[[(1S,2S)-2-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]cyclopropyl]methyl]pyridin-1-ium;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL184576
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-Methyl-1-[[4-[2-[4-[(4-methylpyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL349948
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| Activity |
IC50 = 100000 nM
|
[6] | |||
| Compound Name |
N-Methyl-1-[[(1S,2S)-2-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]cyclopropyl]methyl]-N-phenylpyridin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364174
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
[1-[[4-[2-[4-[[4-(Hydroxymethyl)pyridin-1-ium-1-yl]methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium-4-yl]methanol;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL165437
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|
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| Activity |
IC50 = 100000 nM
|
[6] | |||
| Compound Name |
1-[[4-[2-[4-[[7-Amino-8-methyl-4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]ethyl]phenyl]methyl]-4-N,8-dimethyl-4-N-phenylquinolin-1-ium-4,7-diamine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193262
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| Activity |
IC50 = 133000 nM
|
[4] | |||
| Compound Name |
1-[[4-[2-[4-[(4-Carboxypyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium-4-carboxylic acid;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL165570
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|
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| Activity |
IC50 = 136700 nM
|
[6] | |||
| Compound Name |
1-[[3-[3-[[7-Amino-4-(4-chloro-N-methylanilino)-8-methylquinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-4-N-(4-chlorophenyl)-4-N,8-dimethylquinolin-1-ium-4,7-diamine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL426637
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|
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| Activity |
IC50 = 147000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 6 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-[[4-[2-[4-[(4-Amino-7-chloroquinolin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]-7-chloroquinolin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL371151
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|
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| Activity |
IC50 > 200000 nM
|
[4] | |||
| Compound Name |
1-[[4-[4-[(4-Amino-3-methylquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-3-methylquinolin-1-ium-4-amine;dibromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364075
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|
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| Activity |
IC50 > 200000 nM
|
[4] | |||
| Compound Name |
Azepan-1-yl-piperazin-1-yl-methanone
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|
Investigative | Compound Info | ||
| Synonyms |
azepan-1-yl(piperazin-1-yl)methanone; CHEMBL3763196; azaperhydroepinyl piperazinyl ketone; F3083-0006; CTK4I4722; DTXSID20388150; ZINC4487277; 2922AE; BDBM50145921; SBB011268; AKOS000132084; AKOS002245272; MCULE-3274398305; DA-19631; FT-0677736; ST50291506; Z-2355
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| Activity |
IC50 > 300000 nM
|
[5] | |||
| Compound Name |
6-(Trifluoromethyl)pyrimidin-4-amine
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|
Investigative | Compound Info | ||
| Synonyms |
6-Trifluoromethyl-pyrimidin-4-ylamine; 6-Trifluoromethyl pyrimidin-4-ylamine; 4-AMINO-6-(TRIFLUOROMETHYL)PYRIMIDINE; 4-Amino-6-Trifluoromethylpyrimidine; CHEMBL3764475; MFCD08436657; 6-Trifluoromethylpyrimidin-4-ylamine; 4-Pyrimidinamine, 6-(trifluoromethyl)-; ACMC-209ny5; SCHEMBL27722; CTK8B2128; DTXSID30625326; KS-00000L5N; ZINC8764206; ANW-35307; BBL102065; BDBM50145925; STL555864; AKOS000320400; AB45006; CS-W018728; FS-2818; LS20848; MCULE-3763698053; AC-25662; AK-24979; BR-24979; SY106967; 4-TRIFLUOROMETHYL-6-AMINOPYRIMIDINE; AB0026175; A9026; FT-0649230; W7779; S-5600; 6-(Trifluoromethyl)pyrimidin-4-amine, AldrichCPR; 672T413; F2124-0885; Z1741974486
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|
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| Activity |
IC50 > 300000 nM
|
[5] | |||
| Compound Name |
1-[[4-[2-[4-[(4-Cyanopyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium-4-carbonitrile;dibromide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL349401
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| Activity |
IC50 > 1000000 nM
|
[6] | |||
| Compound Name |
[4-(4-Methyl-1,4-diazepan-1-yl)phenyl]methanol
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|
Investigative | Compound Info | ||
| Synonyms |
[4-(4-Methylperhydro-1,4-diazepin-1-yl)phenyl]methanol; CHEMBL3765610; (4-(4-Methyl-1,4-diazepan-1-yl)phenyl)methanol; DTXSID00594656; 2412AF; BDBM50145919; MFCD08690315; SBB096016; ZINC12370635; AS-9261; DB-078517; FT-0716879; [4-(4-methyl-1,4-diazaperhydroepinyl)phenyl]methan-1-ol; [4-(4-methylperhydro-1,4-diazepin-1-yl)phenyl]methanol, AldrichCPR
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| Activity |
IC50 > 2000000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a series of 8-(1-phenylpyrrolidin-2-yl)-6-carboxamide-2-morpholino-4H-chromen-4-one as PI3K/ inhibitors for the treatment of PTEN-deficient tumours. Bioorg Med Chem Lett. 2017 May 1;27(9):1949-1954. | ||||
| REF 2 | US patent application no. 20110257211A1, Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics | ||||
| REF 3 | Influence of the linker in bispyridium compounds on the inhibition of human choline kinase. J Med Chem. 2004 Oct 21;47(22):5433-40. | ||||
| REF 4 | Symmetrical bis-quinolinium compounds: new human choline kinase inhibitors with antiproliferative activity against the HT-29 cell line. J Med Chem. 2005 May 5;48(9):3354-63. | ||||
| REF 5 | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J Med Chem. 2016 Jan 28;59(2):671-86. | ||||
| REF 6 | QSAR of 1,1'-(1,2-ethylenebisbenzyl)bis(4-substitutedpyridinium) dibromides as choline kinase inhibitors: a different approach for antiproliferative drug design. Bioorg Med Chem Lett. 2000 Apr;10(8):767-70. | ||||
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