TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.776 | Formula: C18H12ClF3N6
H donors: 3 H acceptors: 3 LogP: 5.03 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)Nc1ncc(c(n1)Nc1ccc2c(c1)nc[nH]2)C(F)(F)F
InChi: 1S/C18H12ClF3N6/c19-10-2-1-3-11(6-10)27-17-23-8-13(18(20,21)22)16(28-17)26-12-4-5-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)
InChiKey: ZOEFLUNJKODZLU-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	cyclin-dependent kinase 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium vivax	protein kinase Crk2	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium falciparum	protein kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium yoelii	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Babesia bovis	cell division control protein 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	cdc2-like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium knowlesi	Cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium berghei	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	cyclin-dependent kinase 3	305 aa	303 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0052	0.003	0.0041
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0044	0.0018	0.0025
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0052	0.003	0.003
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.6541	1	1
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0046	0.0064
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.0201	0.0259	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Brugia malayi	FolC bifunctional protein	0.0201	0.0259	0.0359
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.473	0.7217	1
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0201	0.0259	0.0359
Onchocerca volvulus		0.0266	0.036	0.0498
Mycobacterium leprae	PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II)	0.009	0.0089	0.0123
Plasmodium falciparum	protein kinase 5	0.0052	0.003	0.0013
Trypanosoma cruzi	aldo/keto reductase, putative	0.0062	0.0046	0.0046
Entamoeba histolytica	aldose reductase, putative	0.0062	0.0046	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0052	0.003	0.0042
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0045	0.0019	0.0026
Entamoeba histolytica	aldose reductase, putative	0.0062	0.0046	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT	0.1207	0.1805	0.2501
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0052	0.003	0.003
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.003	0.0089
Chlamydia trachomatis	dihydrofolate reductase	0.4665	0.7117	1
Brugia malayi	Protein kinase domain containing protein	0.0052	0.003	0.0042
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Wolbachia endosymbiont of Brugia malayi	phosphoribosylformylglycinamidine synthase domain-containing protein	0.009	0.0089	0.0399
Leishmania major	pteridine reductase 1	0.0201	0.0259	0.0259
Leishmania major	aldo-keto reductase-like protein	0.0062	0.0046	0.0046
Giardia lamblia	Aldose reductase	0.0062	0.0046	1
Trypanosoma brucei	Selenophosphate synthetase 2	0.009	0.0089	0.0089
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Brugia malayi	selenium donor protein	0.009	0.0089	0.0123
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0201	0.0259	0.0242
Mycobacterium ulcerans	phosphoribosylformylglycinamidine synthase II	0.009	0.0089	0.0123
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0062	0.0046	0.0064
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0052	0.003	0.0042
Mycobacterium leprae	PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE)	0.0266	0.036	0.0498
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0046	0.0064
Schistosoma mansoni	selinide water dikinase	0.009	0.0089	0.0123
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Plasmodium vivax	selenophosphate synthetase, putative	0.009	0.0089	0.0089
Echinococcus multilocularis	aldehyde reductase	0.0044	0.0018	0.0026
Echinococcus granulosus	cyclin dependent kinase	0.0052	0.003	0.0042
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.4665	0.7117	0.9862
Loa Loa (eye worm)	thymidylate synthase	0.473	0.7217	1
Mycobacterium ulcerans	methionyl-tRNA formyltransferase	0.0044	0.0018	0.0025
Plasmodium vivax	methionyl-tRNA formyltransferase, putative	0.0044	0.0018	0.0018
Trypanosoma brucei	methionyl-tRNA formyltransferase	0.0044	0.0018	0.0018
Trypanosoma cruzi	methionyl-tRNA formyltransferase, putative	0.0044	0.0018	0.0018
Brugia malayi	cell division control protein 2 homolog	0.0052	0.003	0.0042
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0201	0.0259	0.0259
Trichomonas vaginalis	aldo/keto reductase, putative	0.0062	0.0046	0.0135
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.225	0.3407	0.3407
Mycobacterium ulcerans	phosphoribosylamine--glycine ligase	0.1207	0.1805	0.2501
Leishmania major	methionyl-tRNA formyltransferase, putative	0.0044	0.0018	0.0018
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0046	0.0064
Brugia malayi	thymidylate synthase	0.473	0.7217	1
Mycobacterium tuberculosis	Probable formyltetrahydrofolate deformylase PurU (formyl-FH(4) hydrolase)	0.0044	0.0018	0.0025
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0052	0.003	0.0042
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0206	0.0267	0.0371
Trypanosoma cruzi	cdc2-related kinase 1	0.0052	0.003	0.003
Echinococcus multilocularis	dihydrofolate reductase	0.4665	0.7117	0.9862
Onchocerca volvulus		0.0062	0.0046	0.0064
Schistosoma mansoni	aldo-keto reductase	0.0062	0.0046	0.0064
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Plasmodium vivax	protein kinase Crk2	0.0052	0.003	0.003
Trichomonas vaginalis	aldo/keto reductase, putative	0.0062	0.0046	0.0135
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.0201	0.0259	0.0359
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.6541	1	1
Echinococcus granulosus	aldo keto reductase	0.0062	0.0046	0.0064
Trypanosoma cruzi	cdc2-related kinase 1	0.0052	0.003	0.003
Trichomonas vaginalis	aldo/keto reductase, putative	0.0062	0.0046	0.0135
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0046	0.0064
Mycobacterium leprae	Conserved hypothetical protein	0.0044	0.0018	0.0026
Schistosoma mansoni	pol-related	0.0062	0.0046	0.0064
Echinococcus granulosus	hypothetical protein	0.0062	0.0046	0.0064
Schistosoma mansoni	dihydrofolate reductase	0.4665	0.7117	0.9862
Schistosoma mansoni	methionyl-tRNA formyltransferase	0.0044	0.0018	0.0025
Trypanosoma brucei	cdc2-related kinase 1	0.0052	0.003	0.003
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.6541	1	1
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0046	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0045	0.0019	0.0026
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Leishmania major	folylpolyglutamate synthetase	0.0201	0.0259	0.0259
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.6541	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0046	0.0064
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0062	0.0046	0.0135
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0201	0.0259	0.0359
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0046	0.0064
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0062	0.0046	0.0046
Echinococcus multilocularis	cyclin dependent kinase	0.0052	0.003	0.0042
Echinococcus granulosus	thymidylate synthase	0.473	0.7217	1
Brugia malayi	dihydrofolate reductase family protein	0.4665	0.7117	0.9862
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0256	0.0344	0.0477
Echinococcus granulosus	dihydrofolate reductase	0.4665	0.7117	0.9862
Mycobacterium ulcerans	oxidoreductase	0.0062	0.0046	0.0064
Trypanosoma brucei	aldo-keto reductase, putative	0.0062	0.0046	0.0046
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.0201	0.0259	0.0359
Trypanosoma cruzi	methionyl-tRNA formyltransferase, putative	0.0044	0.0018	0.0018
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0052	0.003	0.003
Trypanosoma cruzi	aldo-keto reductase	0.0062	0.0046	0.0046
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0062	0.0046	0.0135
Echinococcus granulosus	selenide water dikinase	0.009	0.0089	0.0123
Entamoeba histolytica	aldose reductase, putative	0.0062	0.0046	1
Plasmodium falciparum	selenide water dikinase, putative	0.009	0.0089	0.0071
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0046	0.0064
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0046	0.0064
Trichomonas vaginalis	conserved hypothetical protein	0.225	0.3407	1
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0046	0.0064
Onchocerca volvulus		0.0062	0.0046	0.0064
Onchocerca volvulus		0.0212	0.0276	0.0383
Schistosoma mansoni	folylpolyglutamate synthase	0.0201	0.0259	0.0359
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0201	0.0259	0.0259
Trypanosoma cruzi	cdc2-related kinase 3	0.0052	0.003	0.003
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0201	0.0259	0.0259
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0062	0.0046	0.0135
Loa Loa (eye worm)	dihydrofolate reductase	0.4665	0.7117	0.9862
Echinococcus granulosus	cyclin dependent kinase 1	0.0052	0.003	0.0042
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0046	0.0064
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0045	0.0019	0.0026
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0201	0.0259	0.0359
Onchocerca volvulus		0.0062	0.0046	0.0064
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.473	0.7217	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.473	0.7217	1
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.003	0.0042
Echinococcus granulosus	cyclin dependent kinase 5	0.0052	0.003	0.0042
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.003	0.0089
Trypanosoma brucei	prostaglandin f synthase	0.0062	0.0046	0.0046
Giardia lamblia	Aldose reductase	0.0062	0.0046	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.6541	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Leishmania major	selenophosphate synthetase, putative	0.009	0.0089	0.0089
Trypanosoma cruzi	selenophosphate synthetase, putative	0.009	0.0089	0.0089
Trypanosoma brucei	cdc2-related kinase 3	0.0052	0.003	0.003
Wolbachia endosymbiont of Brugia malayi	phosphoribosylaminoimidazole synthetase	0.0266	0.036	0.1914
Trypanosoma cruzi	selenophosphate synthetase, putative	0.009	0.0089	0.0089
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.4665	0.7117	0.9862
Echinococcus multilocularis	snurportin 1	0.0256	0.0344	0.0477
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0052	0.003	0.0042
Mycobacterium tuberculosis	Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II)	0.009	0.0089	0.0123
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0062	0.0046	0.0046
Mycobacterium tuberculosis	Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt	0.0176	0.0221	0.0306
Loa Loa (eye worm)	FolC protein	0.0201	0.0259	0.0359
Mycobacterium leprae	PROBABLE THIAMINE-MONOPHOSPHATE KINASE THIL (THIAMINE-PHOSPHATE KINASE)	0.0054	0.0034	0.0047
Leishmania major	prostaglandin f synthase, putative	0.0062	0.0046	0.0046
Onchocerca volvulus		0.0062	0.0046	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.003	0.0089
Onchocerca volvulus		0.473	0.7217	1
Mycobacterium tuberculosis	Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase)	0.0266	0.036	0.0498
Echinococcus granulosus	aldo keto reductase	0.0062	0.0046	0.0064
Loa Loa (eye worm)	selenium donor protein	0.009	0.0089	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0019	0.0026
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0201	0.0259	0.0359
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0201	0.0259	0.0259
Toxoplasma gondii	aldose reductase, putative	0.0062	0.0046	0.0046
Echinococcus multilocularis	cyclin dependent kinase 1	0.0052	0.003	0.0042
Brugia malayi	RNA, U transporter 1	0.0068	0.0055	0.0077
Toxoplasma gondii	selenide, water dikinase	0.009	0.0089	0.0089
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0201	0.0259	0.0359
Trypanosoma cruzi	cdc2-related kinase 3	0.0052	0.003	0.003
Brugia malayi	Dihydrofolate reductase	0.4665	0.7117	0.9862
Onchocerca volvulus		0.0062	0.0046	0.0064
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.4665	0.7117	0.9862
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Echinococcus granulosus	aldo keto reductase	0.0062	0.0046	0.0064
Mycobacterium ulcerans	phosphoribosylaminoimidazole synthetase	0.0266	0.036	0.0498
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0052	0.003	0.0042
Echinococcus granulosus	snurportin 1	0.0256	0.0344	0.0477
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Mycobacterium tuberculosis	Probable oxidoreductase	0.0062	0.0046	0.0064
Mycobacterium ulcerans	thymidylate synthase	0.473	0.7217	1
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0201	0.0259	0.0259
Wolbachia endosymbiont of Brugia malayi	phosphoribosylamine--glycine ligase	0.1207	0.1805	1
Brugia malayi	hypothetical protein	0.225	0.3407	0.4721
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0046	0.0064
Echinococcus multilocularis		0.009	0.0089	0.0123
Echinococcus multilocularis	cyclin dependent kinase 1	0.0052	0.003	0.0042
Echinococcus granulosus	aldehyde reductase	0.0044	0.0018	0.0026
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0046	0.0064
Trypanosoma brucei	pteridine reductase 1	0.0198	0.0255	0.0255
Mycobacterium tuberculosis	Hypothetical protein	0.225	0.3407	0.4721
Schistosoma mansoni	aldo-keto reductase	0.0062	0.0046	0.0064
Mycobacterium ulcerans	phosphoribosylglycinamide formyltransferase	0.0044	0.0018	0.0025
Echinococcus multilocularis	thymidylate synthase	0.473	0.7217	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Onchocerca volvulus		0.0062	0.0046	0.0064
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0046	0.0064
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0046	0.0064
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.0201	0.0259	0.0359
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Toxoplasma gondii	formyl transferase domain-containing protein	0.0044	0.0018	0.0018
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0046	0.0135
Onchocerca volvulus		0.0036	0.0006	0.0008
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.003	0.0042
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0201	0.0259	0.0759
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0046	0.0064
Mycobacterium ulcerans	thiamine monophosphate kinase	0.0054	0.0034	0.0047
Schistosoma mansoni	hypothetical protein	0.0256	0.0344	0.0477

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 22 nM	Inhibitory concentration against Cyclin dependent kinase 1	ChEMBL.	15808450
IC50 (binding)	= 22 nM	Inhibitory concentration against Cyclin dependent kinase 1	ChEMBL.	15808450

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 338899