TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 554.319 | Formula: C26H26Br2N4
H donors: 2 H acceptors: 0 LogP: 6.21 Rotable bonds: 0
Rule of 5 violations (Lipinski): 2
SMILES: C1Nc2cc[n+](cc2)Cc2ccc(cc2)C[n+]2ccc(NCc3ccc1cc3)cc2.[Br-].[Br-]
InChi: 1S/C26H24N4.2BrH/c1-2-22-4-3-21(1)17-27-25-9-13-29(14-10-25)19-23-5-7-24(8-6-23)20-30-15-11-26(12-16-30)28-18-22;;/h1-16H,17-20H2;2*1H
InChiKey: AMLINXVDXLNESB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	choline kinase alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Brugia malayi	Choline/ethanolamine kinase family protein	Get druggable targets OG5_127835	All targets in OG5_127835
Cryptosporidium parvum	putative choline kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Echinococcus multilocularis	choline:ethanolamine kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Echinococcus granulosus	choline:ethanolamine kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Cryptosporidium hominis	choline kinase GmCK2p-like protein	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium vivax	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium yoelii	choline kinase GmCK2p-like protein, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Loa Loa (eye worm)	choline/ethanolamine kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium berghei	choline kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium knowlesi	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Candida albicans	likely choline kinase similar to S. cerevisiae CKI1 (YLR133W)	Get druggable targets OG5_127835	All targets in OG5_127835
Toxoplasma gondii	phosphotransferase enzyme family protein	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Schistosoma japonicum	ko:K00866 choline kinase [EC2.7.1.32], putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium falciparum	choline kinase	Get druggable targets OG5_127835	All targets in OG5_127835

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	choline/ethanolamine kinase	choline kinase alpha	457 aa	474 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0571	0.0801
Echinococcus granulosus	ecdysone induced protein 78C	0.0088	0.1096	0.1096
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0088	0.1096	0.1499
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0088	0.1096	0.1538
Echinococcus granulosus	thyroid hormone receptor alpha	0.0041	0.0403	0.0403
Loa Loa (eye worm)	nuclear hormone receptor	0.0041	0.0403	0.0565
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0041	0.0403	0.0845
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0084	0.1036	0.1036
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0092	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0041	0.0403	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0088	0.1096	0.1096
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0046	0.0477	0.0669
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0088	0.1096	0.1096
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0088	0.1096	0.23
Brugia malayi	hypothetical protein	0.0046	0.0477	0.0626
Brugia malayi	nuclear receptor RXR	0.0041	0.0403	0.0521
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0088	0.1096	0.1499
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0088	0.1096	0.23
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0041	0.0403	0.0845
Entamoeba histolytica	hypothetical protein	0.0076	0.0924	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0088	0.1096	0.1096
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0245	0.3453	0.3453
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Schistosoma mansoni	nuclear hormone receptor	0.0088	0.1096	0.23
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0571	0.0759
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0088	0.1096	0.1499
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0333	0.4766	0.4766
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Schistosoma mansoni	hypothetical protein	0.0017	0.0033	0.0069
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0924	0.0924
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0041	0.0403	0.0521
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0088	0.1096	0.1096
Echinococcus granulosus	choline:ethanolamine kinase	0.0049	0.0515	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Brugia malayi	hypothetical protein	0.0076	0.0924	0.1255
Toxoplasma gondii	phosphotransferase enzyme family protein	0.0049	0.0515	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0041	0.0403	0.0845
Onchocerca volvulus		0.0088	0.1096	0.7911
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0088	0.1096	0.1096
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0041	0.0403	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0477	0.0669
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0092	0.0092
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0076	0.0924	0.1938
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0088	0.1096	0.1096
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0084	0.1036	0.1036
Brugia malayi	nuclear receptor RXR	0.0046	0.0477	0.0626
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0088	0.1096	0.1538
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0041	0.0403	0.0403
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0088	0.1096	0.1499
Echinococcus multilocularis	jun protein	0.0084	0.1036	0.1036
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0046	0.0477	0.1001
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0088	0.1096	0.1096
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0571	0.0759
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0924	0.1938
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0088	0.1096	0.23
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0092	0.5
Onchocerca volvulus		0.0066	0.0767	0.4157
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0088	0.1096	0.1499
Schistosoma mansoni	jun-related protein	0.0068	0.0801	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Loa Loa (eye worm)	steroid hormone receptor	0.0088	0.1096	0.1538
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0041	0.0403	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0477	0.0669
Brugia malayi	nuclear receptor NHR-88	0.0041	0.0403	0.0521
Schistosoma mansoni	ap endonuclease	0.0021	0.0092	0.0194
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0088	0.1096	0.1096
Brugia malayi	ecdysone receptor	0.0041	0.0403	0.0521
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0088	0.1096	0.1499
Brugia malayi	nuclear receptor NHR-88	0.0088	0.1096	0.1499
Schistosoma mansoni	thyroid hormone receptor	0.0333	0.4766	1
Schistosoma mansoni	zinc finger protein	0.0041	0.0403	0.0845
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0092	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0041	0.0403	0.0403
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0245	0.3453	0.3453
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0322	0.0408
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0092	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0092	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0088	0.1096	0.1499
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0088	0.1096	0.1096
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0046	0.0477	0.1001
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0088	0.1096	0.23
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0088	0.1096	0.23
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0088	0.1096	0.1499
Onchocerca volvulus		0.01	0.1279	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0092	0.013
Brugia malayi	nuclear hormone receptor family member odr-7	0.0041	0.0403	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0041	0.0403	0.0403
Brugia malayi	hypothetical protein	0.0066	0.0767	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0088	0.1096	0.1538
Brugia malayi	photoreceptor-specific nuclear receptor	0.0088	0.1096	0.1499
Schistosoma mansoni	nuclear receptor	0.0041	0.0403	0.0845
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0088	0.1096	0.1538
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0088	0.1096	0.7911
Brugia malayi	Nuclear hormone receptor-like 1	0.0088	0.1096	0.1499
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0041	0.0403	0.0521
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0092	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.0403	0.0403
Echinococcus granulosus	nuclear receptor nhr 48	0.0041	0.0403	0.0403
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0088	0.1096	0.1538
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0033	0.0033
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0033	0.0046
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0092	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0088	0.1096	0.1096
Brugia malayi	hypothetical protein	0.0041	0.0403	0.0521
Brugia malayi	Choline/ethanolamine kinase family protein	0.0049	0.0515	0.068
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.01	0.1279	0.1795
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Schistosoma mansoni	RAR-like nuclear receptor	0.0088	0.1096	0.23
Plasmodium vivax	choline kinase, putative	0.0049	0.0515	1
Entamoeba histolytica	hypothetical protein	0.0076	0.0924	1
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0092	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0088	0.1096	0.1499
Brugia malayi	follicle stimulating hormone receptor	0.0491	0.7127	1
Brugia malayi	bZIP transcription factor family protein	0.0084	0.1036	0.1414
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0041	0.0403	0.0403
Brugia malayi	Nuclear hormone receptor E75	0.0041	0.0403	0.0521
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0088	0.1096	0.23
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Schistosoma mansoni	hypothetical protein	0.0017	0.0033	0.0069
Echinococcus granulosus	FTZ F1 alpha	0.0088	0.1096	0.1096
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0571	0.0801
Brugia malayi	tailless protein	0.0041	0.0403	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0033	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Schistosoma mansoni	hypothetical protein	0.0068	0.0801	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0073	0.0882	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0477	0.0669
Echinococcus multilocularis	tumor protein p63	0.0683	1	1
Brugia malayi	nuclear receptor NHR-67	0.0041	0.0403	0.0521
Brugia malayi	Nuclear hormone receptor-like 1	0.0046	0.0477	0.0626
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0088	0.1096	0.1538
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0491	0.7127	1
Brugia malayi	hypothetical protein	0.0046	0.0477	0.0626
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0092	0.5
Entamoeba histolytica	hypothetical protein	0.0076	0.0924	1
Entamoeba histolytica	hypothetical protein	0.0076	0.0924	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0088	0.1096	0.1096
Schistosoma mansoni	coup transcription factor	0.0088	0.1096	0.23
Schistosoma mansoni	hypothetical protein	0.0245	0.3453	0.7246
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0092	0.0084
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0041	0.0403	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1002	0.1405
Brugia malayi	nuclear hormone receptor	0.0088	0.1096	0.1499
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0403	0.0845
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0033	0.0033
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0092	0.0092
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.0403	0.0845
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0041	0.0403	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Plasmodium falciparum	choline kinase	0.0049	0.0515	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0088	0.1096	0.1096
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0041	0.0403	0.0403
Schistosoma mansoni	thyroid hormone receptor	0.0333	0.4766	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0033	0.0069
Brugia malayi	nuclear hormone receptor	0.0041	0.0403	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0477	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Echinococcus granulosus	jun protein	0.0084	0.1036	0.1036
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0088	0.1096	0.1096
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0046	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0477	0.0669
Onchocerca volvulus	Protein ultraspiracle homolog	0.0088	0.1096	0.7911
Schistosoma mansoni	hypothetical protein	0.0036	0.0322	0.0676
Loa Loa (eye worm)	DR-78	0.0041	0.0403	0.0565
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0041	0.0403	0.0565
Brugia malayi	ecdysteroid receptor	0.0088	0.1096	0.1499
Brugia malayi	orphan nuclear receptor NR2E1	0.0041	0.0403	0.0521
Onchocerca volvulus	Bile acid receptor homolog	0.0088	0.1096	0.7911
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0088	0.1096	0.1538
Brugia malayi	conserved hypotetical protein	0.0041	0.0403	0.0521
Schistosoma mansoni	retinoic acid receptor RXR	0.0088	0.1096	0.23
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0073	0.0882	0.0882
Schistosoma mansoni	hypothetical protein	0.0017	0.0033	0.0069
Brugia malayi	hypothetical protein	0.0041	0.0403	0.0521
Schistosoma mansoni	nuclear receptor	0.0041	0.0403	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0322	0.0452
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0088	0.1096	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0403	0.0565
Brugia malayi	steroid hormone receptor	0.0088	0.1096	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0092	0.5
Echinococcus multilocularis	choline:ethanolamine kinase	0.0049	0.0515	0.0515
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0088	0.1096	0.1499
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0088	0.1096	0.1499
Brugia malayi	Nuclear hormone receptor-like 1	0.0046	0.0477	0.0626
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0088	0.1096	0.1499
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0049	0.0515	0.0723
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0924	0.0924
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0088	0.1096	0.23
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.0403	0.0403
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0046	0.0477	0.0477
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1096	0.1538
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0088	0.1096	0.1499
Schistosoma mansoni	cellular tumor antigen P53	0.01	0.1279	0.2684
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0088	0.1096	0.1096
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0088	0.1096	0.1499
Echinococcus granulosus	GPCR family 2	0.0017	0.0033	0.0033
Schistosoma mansoni	ap endonuclease	0.0021	0.0092	0.0194

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.1 uM	Ex vivo inhibitory activity against human choline kinase was determined	ChEMBL.	12904080
IC50 (binding)	= 2.1 uM	Ex vivo inhibitory activity against human choline kinase was determined	ChEMBL.	12904080
IC50 (functional)	= 36.9 uM	In vitro inhibition of proliferation in ras transformed cells on the HT-29 (Human tumour) cell line	ChEMBL.	12904080
IC50 (functional)	= 36.9 uM	In vitro inhibition of proliferation in ras transformed cells on the HT-29 (Human tumour) cell line	ChEMBL.	12904080

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL125434
PubChem: 10864598

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 215483