TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 740.431 | Formula: C29H14F6N4O13
H donors: 1 H acceptors: 10 LogP: 7.24 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: O=C1CC(Oc2c1c(O)cc(c2)Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])c1ccc(cc1)Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChi: 1S/C29H14F6N4O13/c30-28(31,32)13-5-17(36(42)43)26(18(6-13)37(44)45)50-15-3-1-12(2-4-15)23-11-22(41)25-21(40)9-16(10-24(25)52-23)51-27-19(38(46)47)7-14(29(33,34)35)8-20(27)39(48)49/h1-10,23,40H,11H2
InChiKey: KNTLMZMLDZRGAX-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	kinesin family member 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium hominis	kinesin-like boursin	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus granulosus	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Loa Loa (eye worm)	kinesin-like protein KLP2	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium knowlesi	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Neospora caninum	hypothetical protein	Get druggable targets OG5_128460	All targets in OG5_128460
Toxoplasma gondii	kinesin motor domain-containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma japonicum	ko:K10398 kinesin family member 11, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium parvum	kinesin-like boursin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus multilocularis	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium berghei	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Brugia malayi	Kinesin motor domain containing protein	Get druggable targets OG5_128460	All targets in OG5_128460

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.088	1	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.088	1	1
Schistosoma mansoni	potassium channel beta	0.0033	0.0151	0.0151
Onchocerca volvulus	Ribonuclease H1 homolog	0.0076	0.0651	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.088	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0033	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0288	0.0288
Onchocerca volvulus		0.0033	0.0151	0.2314
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0288	0.0288
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.088	1	1
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0053	0.0385	0.0385
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0033	0.0151	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.088	1	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0122	0.119	0.119
Echinococcus granulosus	3'partial\|mitogen activated protein kinase kinase kinase	0.0105	0.0992	0.0992
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.088	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Trypanosoma cruzi	aldo/keto reductase, putative	0.0033	0.0151	0.0151
Treponema pallidum	ribonuclease H (rnhA)	0.0076	0.0651	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0385	0.0385
Schistosoma mansoni	kinase	0.0032	0.0145	0.0145
Leishmania major	ribonuclease H1, putative	0.0076	0.0651	0.0651
Plasmodium falciparum	aldo-keto reductase, putative	0.0033	0.0151	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0056	0.0416	0.0416
Schistosoma mansoni	aldo-keto reductase	0.0033	0.0151	0.0151
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0191	0.1996	0.1996
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0122	0.119	0.119
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0452	0.5023	0.5023
Brugia malayi	serine/threonine-protein kinase plk-2	0.0056	0.0416	0.0416
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.088	1	1
Echinococcus multilocularis	kinase protein	0.0105	0.0992	0.0992
Echinococcus granulosus	mitogen activated protein kinase	0.088	1	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0056	0.0416	0.6391
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo/keto reductase, putative	0.0033	0.0151	0.0151
Brugia malayi	Protein kinase domain containing protein	0.0099	0.0922	0.0922
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0056	0.0416	0.0416
Giardia lamblia	Aldose reductase	0.0033	0.0151	0.0151
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Trichomonas vaginalis	CMGC family protein kinase	0.088	1	1
Echinococcus granulosus	kinesin family 1	0.0247	0.2647	0.2647
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0023	0.0037	0.0037
Trichomonas vaginalis	CMGC family protein kinase	0.088	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0033	0.0151	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0023	0.0037	0.0037
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0033	0.0151	0.5
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0033	0.0151	0.0007
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0099	0.0922	0.0922
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0151	0.0151
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0452	0.5023	0.5023
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0056	0.0416	0.0416
Giardia lamblia	Kinesin-5	0.0032	0.0144	0.0144
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0033	0.0151	0.0151
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0045	0.0296	0.0296
Leishmania major	prostaglandin f synthase, putative	0.0033	0.0151	0.0151
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Onchocerca volvulus		0.0033	0.0151	0.2314
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0151	0.0151
Giardia lamblia	Kinase, CMGC MAPK	0.088	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0023	0.0037	0.0037
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0151	0.0151
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Trypanosoma brucei	aldo/keto reductase, putative	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo/keto reductase, putative	0.0033	0.0151	0.0151
Schistosoma mansoni	phosphoglucomutase	0.0076	0.0651	0.0651
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0033	0.0151	0.0151
Echinococcus granulosus	ribonuclease H1	0.0076	0.0651	0.0651
Trypanosoma brucei	ribonuclease H1	0.0076	0.0651	0.0651
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0084	0.0742	0.0742
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.0144	0.0144
Schistosoma mansoni	phosphoglucomutase	0.0076	0.0651	0.0651
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0076	0.0651	0.5
Echinococcus multilocularis	kinase protein	0.0105	0.0992	0.0992
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0452	0.5023	0.5023
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Echinococcus multilocularis	mitogen activated protein kinase 3	0.088	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0105	0.0992	0.0992
Schistosoma mansoni	pol-related	0.0033	0.0151	0.0151
Schistosoma mansoni	amine GPCR	0.0079	0.0685	0.0685
Trichomonas vaginalis	CMGC family protein kinase	0.088	1	1
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0151	0.0151
Trypanosoma cruzi	ribonuclease H1, putative	0.0076	0.0651	0.0651
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0122	0.119	0.119
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0105	0.0992	0.0992
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0151	0.0151
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0452	0.5023	0.5023
Trichomonas vaginalis	aldo/keto reductase, putative	0.0033	0.0151	0.0151
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0452	0.5023	0.5023
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0049	0.0334	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0033	0.0151	0.3621
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0138	0.0138
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0049	0.0334	1
Schistosoma mansoni	hypothetical protein	0.0215	0.2274	0.2274
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0105	0.0992	0.0992
Echinococcus granulosus	dual specificity	0.0053	0.0385	0.0385
Trypanosoma cruzi	aldo-keto reductase	0.0033	0.0151	0.0151
Echinococcus granulosus	voltage gated potassium channel subunit	0.0033	0.0151	0.0151
Echinococcus multilocularis	ribonuclease H1	0.0076	0.0651	0.0651
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0023	0.0037	0.0037
Trypanosoma cruzi	polo-like protein kinase, putative	0.0056	0.0416	0.0416
Entamoeba histolytica	aldose reductase, putative	0.0033	0.0151	0.3621
Brugia malayi	RNase H family protein	0.0076	0.0651	0.0651
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0023	0.0037	0.0037
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Onchocerca volvulus		0.0033	0.0151	0.2314
Schistosoma mansoni	kinesin eg-5	0.0032	0.0144	0.0144
Giardia lamblia	Aldose reductase	0.0033	0.0151	0.0151
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0053	0.0385	0.0385
Onchocerca volvulus		0.0033	0.0151	0.2314
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0122	0.119	0.119
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0151	0.0151
Trypanosoma brucei	ingi protein (ORF1)	0.0084	0.0742	0.0742
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Schistosoma mansoni	phosphoglucomutase	0.0076	0.0651	0.0651
Echinococcus granulosus	mitogen activated protein kinase 3	0.088	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Loa Loa (eye worm)	TKL/MLK/TAK1 protein kinase	0.0099	0.0922	0.0922
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0049	0.0334	0.0334
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0053	0.0385	0.0385
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0033	0.0151	0.0151
Echinococcus multilocularis	kinesin family 1	0.0247	0.2647	0.2647
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0033	0.0151	0.3621
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0151	0.0007
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0056	0.0416	1
Echinococcus granulosus	hypothetical protein	0.0033	0.0151	0.0151
Mycobacterium leprae	Possible oxidoreductase	0.0033	0.0151	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0122	0.119	0.119
Brugia malayi	RNase H family protein	0.0076	0.0651	0.0651
Onchocerca volvulus		0.0033	0.0151	0.2314
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Trypanosoma cruzi	aldo/keto reductase, putative	0.0033	0.0151	0.0151
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0053	0.0385	0.0385
Brugia malayi	RNase H family protein	0.0076	0.0651	0.0651
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0151	0.0151
Giardia lamblia	Ribonuclease H	0.0076	0.0651	0.0651
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0122	0.119	0.119
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0033	0.0151	0.0151
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Entamoeba histolytica	protein kinase domain containing protein	0.0053	0.0385	0.9248
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0416	0.0416
Toxoplasma gondii	aldo-keto reductase	0.0033	0.0151	0.0007
Entamoeba histolytica	protein kinase, putative	0.0053	0.0385	0.9248
Entamoeba histolytica	aldose reductase, putative	0.0033	0.0151	0.3621
Entamoeba histolytica	kinesin, putative	0.0032	0.0144	0.3457
Trypanosoma brucei	protein kinase, putative	0.088	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.088	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Entamoeba histolytica	protein kinase, putative	0.0053	0.0385	0.9248
Trichomonas vaginalis	CAMK family protein kinase	0.0032	0.0138	0.0138
Echinococcus granulosus	aldo keto reductase	0.0033	0.0151	0.0151
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0151	0.0151
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0099	0.0922	0.0922
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0033	0.0151	0.0151
Echinococcus granulosus	aldo keto reductase	0.0033	0.0151	0.0151
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Echinococcus granulosus	aldo keto reductase	0.0033	0.0151	0.0151
Onchocerca volvulus		0.0033	0.0151	0.2314
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0023	0.0037	0.0037
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0191	0.1996	0.1996
Brugia malayi	Protein kinase domain containing protein	0.0053	0.0385	0.0385
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0151	0.0151
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase 7	0.0105	0.0992	0.0992
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trypanosoma cruzi	ribonuclease H1, putative	0.0076	0.0651	0.0651
Trypanosoma brucei	hypothetical protein, conserved	0.0084	0.0742	0.0742
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0023	0.0037	0.0037
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0049	0.0334	0.0334
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Plasmodium falciparum	aldehyde reductase, putative	0.0033	0.0151	1
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.0144	0.0144
Brugia malayi	NADH-dependent xylose reductase	0.0033	0.0151	0.0151
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0033	0.0151	0.0151
Schistosoma mansoni	serine/threonine protein kinase	0.088	1	1
Schistosoma mansoni	aldo-keto reductase	0.0033	0.0151	0.0151
Echinococcus granulosus	5'partial\|3'partial\|mitogen activated protein kinase kinase kinase	0.0105	0.0992	0.0992
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0049	0.0334	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0033	0.0151	0.0151
Echinococcus multilocularis	dual specificity	0.0053	0.0385	0.0385
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.088	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Echinococcus multilocularis	aldo keto reductase	0.0033	0.0151	0.0151
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0023	0.0037	0.0037
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0122	0.119	0.119
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0049	0.0334	0.0334
Onchocerca volvulus		0.0033	0.0151	0.2314
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0033	0.0151	0.0151
Trypanosoma brucei	unspecified product	0.0084	0.0742	0.0742
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0416	0.0416
Schistosoma mansoni	hypothetical protein	0.0343	0.3759	0.3759
Giardia lamblia	Kinase, PLK	0.0056	0.0416	0.0416
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Toxoplasma gondii	aldose reductase, putative	0.0033	0.0151	0.0007
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0033	0.0151	0.0151
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0049	0.0334	0.0334
Trypanosoma brucei	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Leishmania major	aldo-keto reductase-like protein	0.0033	0.0151	0.0151
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0023	0.0037	0.0037
Toxoplasma gondii	ribonuclease HI protein	0.0076	0.0651	0.0515
Loa Loa (eye worm)	oxidoreductase	0.0033	0.0151	0.0151
Trypanosoma brucei	prostaglandin f synthase	0.0033	0.0151	0.0151
Entamoeba histolytica	aldose reductase, putative	0.0033	0.0151	0.3621
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0033	0.0151	0.0151
Trypanosoma brucei	ingi protein (ORF1)	0.0084	0.0742	0.0742
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0191	0.1996	0.1996
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0049	0.0334	0.0334
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Trypanosoma brucei	RNA helicase, putative	0.0343	0.3759	0.3759
Echinococcus multilocularis	mitogen activated protein kinase	0.088	1	1
Entamoeba histolytica	hypothetical protein	0.0053	0.0385	0.9248
Trichomonas vaginalis	aldo-keto reductase, putative	0.0033	0.0151	0.0151
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0053	0.0385	0.0385
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0033	0.0151	0.0151
Trypanosoma brucei	polo-like protein kinase	0.0056	0.0416	0.0416
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0033	0.0151	0.0151
Trichomonas vaginalis	CMGC family protein kinase	0.088	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0056	0.0416	0.0416
Trypanosoma cruzi	polo-like protein kinase, putative	0.0056	0.0416	0.0416
Trichomonas vaginalis	ribonuclease H1, putative	0.0076	0.0651	0.0651

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.059 uM	Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins followed by ATP addition measured after 15 mins by luciferase-derived luminescence assay	ChEMBL.	24184776
IC50 (functional)	= 9 uM	Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay	ChEMBL.	24184776

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24184776

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: CHEMBL3087429

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1843858