TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 421.512 | Formula: C23H23N3O3S
H donors: 2 H acceptors: 2 LogP: 4.55 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(Oc1cc(ccc1N=c1c2ccccc2[nH]c2c1cccc2)NS(=O)(=O)C)C
InChi: 1S/C23H23N3O3S/c1-15(2)29-22-14-16(26-30(3,27)28)12-13-21(22)25-23-17-8-4-6-10-19(17)24-20-11-7-5-9-18(20)23/h4-15,26H,1-3H3,(H,24,25)
InChiKey: YBXZEWKCWGELRR-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	0.332	0.332
Entamoeba histolytica	protein kinase rad3, putative	0.1421	0.185	0.1824
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	0.0567
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0485	0.0597	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5977	0.7943	0.7943
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4057	0.5376	0.5376
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0133	0.0123
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4051	0.5368	0.5368
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0485	0.0597	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0115	0.0103	0.0071
Loa Loa (eye worm)	phosphatidylinositol 3	0.0485	0.0597	0.0588
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0115	0.0103	0.0093
Loa Loa (eye worm)	phosphatidylinositol 3	0.0485	0.0597	0.0588
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.1421	0.185	0.1842
Entamoeba histolytica	hypothetical protein	0.0485	0.0597	0.0567
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0485	0.0597	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1421	0.185	0.185
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Plasmodium vivax	hypothetical protein	0.0485	0.0597	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0061	0.0031	0.0021
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0115	0.0103	0.0093
Schistosoma mansoni	hypothetical protein	0.1099	0.1419	0.141
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.1421	0.185	0.1824
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0115	0.0103	0.0071
Entamoeba histolytica	hypothetical protein	0.0485	0.0597	0.0567
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0485	0.0597	0.0588
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0485	0.0597	0.0588
Schistosoma mansoni	immunophilin	0.0115	0.0103	0.0093
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0485	0.0597	0.0712
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0485	0.0597	0.0588
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0099	0.0082	0.0072
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0485	0.0597	0.0567
Entamoeba histolytica	protein kinase, putative	0.01	0.0082	0.005
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.7514	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1584	0.2067	0.2711
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0115	0.0103	0.5
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0485	0.0597	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0485	0.0597	0.0588
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0094	0.0074	0.0064
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0485	0.0597	0.0588
Toxoplasma gondii	target of rapamycin (TOR), putative	0.5589	0.7424	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0485	0.0597	0.0567
Loa Loa (eye worm)	phosphatidylinositol 3	0.0485	0.0597	0.0588
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0597	0.0588
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.504	0.6691	0.6691
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0148	0.0147	0.0147
Brugia malayi	FAT domain containing protein	0.1099	0.1419	0.141
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	0.0567
Giardia lamblia	Hypothetical protein	0.0485	0.0597	0.0567
Leishmania major	hypothetical protein, unknown function	0.0485	0.0597	0.05
Schistosoma mansoni	fkbp-rapamycin associated protein	0.1421	0.185	0.1842
Echinococcus multilocularis	nervana 2	0.0061	0.0031	0.0021
Loa Loa (eye worm)	hypothetical protein	0.1584	0.2067	0.2059
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.1099	0.1419	0.141
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0485	0.0597	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.7514	1	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0115	0.0103	0.0021
Echinococcus granulosus	serine threonine protein kinase nrc	0.0062	0.0032	0.0022
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0567
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0158	0.0161	0.0151
Trypanosoma cruzi	target of rapamycin kinase 3	0.5983	0.7952	0.7945
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0485	0.0597	0.0588
Schistosoma mansoni	immunophilin	0.0099	0.0082	0.0072
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1421	0.185	0.1842
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0485	0.0597	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5977	0.7943	0.7943
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.1421	0.185	0.1782
Leishmania major	hypothetical protein, conserved	0.0485	0.0597	0.05
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0485	0.0597	0.0597
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0485	0.0597	0.0567
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0115	0.0103	0.0093
Schistosoma mansoni	serine/threonine-protein kinase	0.0068	0.004	0.003
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0567
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.252	0.332	0.3264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5977	0.7943	0.7943
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0485	0.0597	0.0588
Loa Loa (eye worm)	phosphatidylinositol 3	0.252	0.332	0.3313
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0062	0.0032	0.0022
Schistosoma mansoni	immunophilin	0.0115	0.0103	0.0093
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.252	0.332	0.3313
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0485	0.0597	0.0597
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	0.0567
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Schistosoma mansoni	serine/threonine-protein kinase	0.0068	0.004	0.003
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0567
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.7514	1	1
Trichomonas vaginalis	fk506-binding protein, putative	0.0115	0.0103	0.0103
Mycobacterium leprae	conserved hypothetical protein	0.0485	0.0597	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0485	0.0597	0.0588
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.7514	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0485	0.0597	0.0597
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0158	0.0161	0.0151
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.252	0.332	0.3313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.449	0.5955	0.5955
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0068	0.004	0.0008
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.7514	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.252	0.332	0.325
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0485	0.0597	0.0597
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0115	0.0103	0.0093
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.7514	1	1
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0485	0.0597	0.0712
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	0.332	0.332
Echinococcus granulosus	serine/threonine protein kinase	0.0068	0.004	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4878	0.6474	0.6474
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0115	0.0103	0.1253
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0597	0.0588
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0597	0.0588
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0158	0.0161	0.0151
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.7514	1	1
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0485	0.0597	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0485	0.0597	0.0588
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0485	0.0597	0.0597
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	0.05
Loa Loa (eye worm)	hypothetical protein	0.1421	0.185	0.1842
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4057	0.5376	0.5376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.0597	0.0597
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0068	0.004	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	0.332	0.332
Echinococcus granulosus	nervana 2	0.0061	0.0031	0.0021
Entamoeba histolytica	hypothetical protein	0.0485	0.0597	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1421	0.185	0.185
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0062	0.0032	0.0022
Loa Loa (eye worm)	FKBP5 protein	0.0115	0.0103	0.0093
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0485	0.0597	0.0597
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0485	0.0597	0.0588
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.3554	0.4702	0.4658
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5977	0.7943	0.7943
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0485	0.0597	0.0588
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0485	0.0597	0.0567
Entamoeba histolytica	hypothetical protein	0.1421	0.185	0.1824
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	0.332	0.332
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0567
Echinococcus multilocularis	nervana 2	0.0061	0.0031	0.0021
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0485	0.0597	0.0597
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.7514	1	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0115	0.0103	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0485	0.0597	0.0588
Schistosoma mansoni	voltage-gated potassium channel	0.0173	0.018	0.017
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0567
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0148	0.0147	0.0147
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0061	0.0031	0.0021
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0485	0.0597	0.0712
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.7514	1	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0115	0.0103	0.0093
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.252	0.332	0.3313
Onchocerca volvulus		0.0485	0.0597	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0936	0.1201	0.1201
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0115	0.0103	0.1253
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0485	0.0597	0.0567
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0485	0.0597	0.0712
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.252	0.332	0.3264
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0099	0.0082	0.0072
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0485	0.0597	0.05
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.3121	0.4124	0.4075
Echinococcus multilocularis	Glutaredoxin protein 5	0.0061	0.0031	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.7514	1	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0068	0.004	0.0008
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0597	0.0588
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0485	0.0597	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1421	0.185	0.185
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0485	0.0597	0.0519
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0936	0.1201	0.1201
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.5983	0.7952	0.7935
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0115	0.0103	0.0021
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0115	0.0103	0.0103
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.449	0.5955	0.5955
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4051	0.5368	0.5368
Giardia lamblia	GTOR	0.7514	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.05
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	0.332	0.332
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	0.0597
Toxoplasma gondii	FATC domain-containing protein	0.1421	0.185	0.2416
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.1421	0.185	0.1824
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0082	0.0072
Entamoeba histolytica	protein kinase, putative	0.0094	0.0074	0.0042
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.5983	0.7952	0.793
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0115	0.0103	0.0071
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0485	0.0597	0.0567
Loa Loa (eye worm)	phosphatidylinositol 3	0.7514	1	1
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0115	0.0103	0.0093
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.7514	1	1
Brugia malayi	Protein kinase domain containing protein	0.01	0.0082	0.0072
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0519
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.0597	0.0597
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0485	0.0597	0.0588
Plasmodium vivax	hypothetical protein, conserved	0.0485	0.0597	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4051	0.5368	0.5368
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0115	0.0103	0.0071
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0485	0.0597	0.0588
Echinococcus multilocularis		0.0485	0.0597	0.0588
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0485	0.0597	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4445	0.5895	0.5895
Echinococcus multilocularis	fk506 binding protein	0.0115	0.0103	0.0093
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0485	0.0597	0.0519
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0485	0.0597	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.449	0.5955	0.5955
Trichomonas vaginalis	conserved hypothetical protein	0.1099	0.1419	0.1419
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0936	0.1201	0.1173
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0485	0.0597	0.0567
Loa Loa (eye worm)	AGC/AKT protein kinase	0.01	0.0082	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0485	0.0597	0.0588
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0115	0.0103	0.0071
Leishmania major	phosphatidylinositol kinase, putative	0.0485	0.0597	0.05
Brugia malayi	p70 ribosomal S6 kinase beta	0.0094	0.0074	0.0064
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0485	0.0597	0.05
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.7514	1	1
Trichomonas vaginalis	immunophilin, putative	0.0115	0.0103	0.0103
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0485	0.0597	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1421	0.185	0.1842
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4057	0.5376	0.5376
Entamoeba histolytica	hypothetical protein	0.0485	0.0597	0.0567
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0485	0.0597	0.0567
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.252	0.332	0.3298
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1421	0.185	0.1824
Trichomonas vaginalis	PIKK family atypical protein kinase	0.7514	1	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.1421	0.185	0.1842
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0115	0.0103	0.0071
Loa Loa (eye worm)	hypothetical protein	0.1099	0.1419	0.141
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	0.0519
Echinococcus multilocularis	rac serine:threonine kinase	0.0068	0.004	0.003
Trichomonas vaginalis	conserved hypothetical protein	0.1584	0.2067	0.2067
Trypanosoma cruzi	Protein kinase B	0.0068	0.004	0.0008
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0115	0.0103	0.0093
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Schistosoma mansoni	hypothetical protein	0.0485	0.0597	0.0588
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0485	0.0597	0.0588
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0158	0.0161	0.0151
Echinococcus granulosus	serine protein kinase ATM	0.1421	0.185	0.1842
Entamoeba histolytica	protein kinase, putative	0.01	0.0082	0.005
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.252	0.332	0.3313
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0115	0.0103	0.0071
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.252	0.332	0.3298
Echinococcus multilocularis	serine protein kinase ATM	0.1421	0.185	0.1842
Echinococcus granulosus	Glutaredoxin protein 5	0.0061	0.0031	0.0021
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0485	0.0597	0.0588
Echinococcus granulosus	nervana 2	0.0061	0.0031	0.0021
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0115	0.0103	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2016	0.2646	0.2646
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4445	0.5895	0.5895
Schistosoma mansoni	voltage-gated potassium channel	0.0173	0.018	0.017
Onchocerca volvulus		0.0485	0.0597	0.5
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0485	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.1531	0.1997	0.1989
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0936	0.1201	0.1192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4057	0.5376	0.5376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5589	0.7424	0.7424
Echinococcus multilocularis	Zinc finger, PHD finger	0.0485	0.0597	0.0588
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.1421	0.185	0.1842
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0485	0.0597	0.0588
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.1099	0.1419	0.141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5977	0.7943	0.7943
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0597	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6416	0.853	0.853
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0485	0.0597	0.0712
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0485	0.0597	0.0588
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0115	0.0103	0.0103
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0485	0.0597	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.7514	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0485	0.0597	0.0588
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0485	0.0597	0.0597
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.252	0.332	0.325
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0485	0.0597	0.0567
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0597	0.0588
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0485	0.0597	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 (functional)	> 1700 nM	In vitro concentration required to inhibit the growth of L1210 cells in culture by 50% following a 48 hr exposure.	ChEMBL.	6546591
ID50 (functional)	> 1700 nM	In vitro concentration required to inhibit the growth of L1210 cells in culture by 50% following a 48 hr exposure.	ChEMBL.	6546591
Log 1/D50 (functional)	< 2.96	Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice.	ChEMBL.	7069706
Log 1/LD10 (ADMET)	= 2.96	Compound concentration in mole/kg/day lethal to 10% of mice	ChEMBL.	7069706
Log K (binding)	= 5.17	Binding constant for DNA by ethidium bromide displacement	ChEMBL.	6546591
Log Kd (binding)	0	DNA binding dissociation constant as KD; No data	ChEMBL.	6708048
OD (functional)	> 500 mg kg-1	Dose of drug given intraperitoneally on a qd 1-5 schedule that provides the highest ILS value in mice bearing 10E6 ip inoculated L1210 leukemia cells	ChEMBL.	6546591
OD (functional)	> 500 mg kg-1	Dose of drug given intraperitoneally on a qd 1-5 schedule that provides the highest ILS value in mice bearing 10E6 ip inoculated L1210 leukemia cells	ChEMBL.	6546591
pKa	= 7.51	Dissociation constant of the compound in aqueous DMF.	ChEMBL.	6546591

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

3 literature references were collected for this gene.

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Detailed information for compound 177022