TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.501 | Formula: C22H22N4O2S
H donors: 3 H acceptors: 3 LogP: 3.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCNS(=O)(=O)c1ccc(cc1)Nc1c2ccccc2nc2c1ccc(c2)N
InChi: 1S/C22H22N4O2S/c1-2-13-24-29(27,28)17-10-8-16(9-11-17)25-22-18-5-3-4-6-20(18)26-21-14-15(23)7-12-19(21)22/h3-12,14,24H,2,13,23H2,1H3,(H,25,26)
InChiKey: LPQRMFWKQCJZRM-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
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2998	0.537	0.537
Loa Loa (eye worm)	hypothetical protein	0.01	0.0135	0.012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4423	0.7945	0.7945
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3002	0.5379	0.5379
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0359	0.0602	0.0575
Entamoeba histolytica	hypothetical protein	0.1052	0.1854	0.1831
Loa Loa (eye worm)	phosphatidylinositol 3	0.1865	0.3323	0.3313
Schistosoma mansoni	fkbp-rapamycin associated protein	0.1052	0.1854	0.1842
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0359	0.0602	0.0589
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.0602	0.0602
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.1052	0.1854	0.1842
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0359	0.0602	0.0589
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0061	0.0064	0.005
Onchocerca volvulus		0.0359	0.0602	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Brugia malayi	Protein kinase domain containing protein	0.0066	0.0074	0.006
Echinococcus multilocularis	nervana 2	0.0041	0.0028	0.0014
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0061	0.0064	0.005
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0359	0.0602	0.0589
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0061	0.0064	0.0036
Echinococcus multilocularis		0.0359	0.0602	0.0589
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1052	0.1854	0.1854
Schistosoma mansoni	hypothetical protein	0.0813	0.1423	0.1411
Entamoeba histolytica	protein kinase, putative	0.0062	0.0066	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.1172	0.2071	0.2071
Giardia lamblia	GTOR	0.556	1	1
Loa Loa (eye worm)	FKBP5 protein	0.0061	0.0064	0.005
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0359	0.0602	0.0589
Trichomonas vaginalis	fk506-binding protein, putative	0.0061	0.0064	0.0064
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0575
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0061	0.0064	0.0064
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.0602	0.0602
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0602	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0359	0.0602	0.0589
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0359	0.0602	1
Schistosoma mansoni	hypothetical protein	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0049	0.0035
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	0.0575
Brugia malayi	FAT domain containing protein	0.0813	0.1423	0.1411
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0108	0.0148	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.373	0.6693	0.6693
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0359	0.0602	0.0589
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.556	1	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0359	0.0602	0.0589
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0813	0.1423	0.1411
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1172	0.2071	0.2724
Echinococcus multilocularis	Glutaredoxin protein 5	0.0041	0.0028	0.0014
Loa Loa (eye worm)	hypothetical protein	0.1052	0.1854	0.1842
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	0.0541
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0359	0.0602	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0575
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0049	0.0035
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0602	0.0589
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.4427	0.7953	0.794
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0115	0.0162	0.0148
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0359	0.0602	0.0575
Echinococcus granulosus	nervana 2	0.0041	0.0028	0.0014
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0359	0.0602	0.0589
Echinococcus multilocularis	rac serine:threonine kinase	0.0045	0.0036	0.0022
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Entamoeba histolytica	hypothetical protein	0.0359	0.0602	0.0575
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0359	0.0602	0.0602
Leishmania major	hypothetical protein, conserved	0.0359	0.0602	0.0541
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1052	0.1854	0.1842
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4423	0.7945	0.7945
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.0602	0.0575
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1052	0.1854	0.1831
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0061	0.0064	0.005
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0359	0.0602	0.0589
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0061	0.0064	0.0036
Loa Loa (eye worm)	phosphatidylinositol 3	0.0359	0.0602	0.0589
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1865	0.3323	0.3313
Echinococcus granulosus	nervana 2	0.0041	0.0028	0.0014
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1865	0.3323	0.328
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4423	0.7945	0.7945
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1865	0.3323	0.3323
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3322	0.5957	0.5957
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1865	0.3323	0.328
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0115	0.0162	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0359	0.0602	0.0602
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.556	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0359	0.0602	0.0602
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0359	0.0602	0.0589
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0061	0.0064	0.0036
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0359	0.0602	0.0728
Loa Loa (eye worm)	phosphatidylinositol 3	0.556	1	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0045	0.0036	0.0022
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0061	0.0064	0.5
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.556	1	1
Trichomonas vaginalis	immunophilin, putative	0.0061	0.0064	0.0064
Loa Loa (eye worm)	phosphatidylinositol 3	0.0359	0.0602	0.0589
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1865	0.3323	0.328
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.556	1	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0045	0.0036	0.0007
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0602	0.0589
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0115	0.0162	0.0148
Schistosoma mansoni	immunophilin	0.0061	0.0064	0.005
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.361	0.6476	0.6476
Echinococcus granulosus	serine threonine protein kinase nrc	0.0041	0.0029	0.0014
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1865	0.3323	0.3313
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0359	0.0602	0.0589
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0359	0.0602	0.0728
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1052	0.1854	0.1854
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1865	0.3323	0.3323
Trypanosoma cruzi	Protein kinase B	0.0045	0.0036	0.0007
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0359	0.0602	0.0602
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3002	0.5379	0.5379
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0359	0.0602	0.0589
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.1052	0.1854	0.1842
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.556	1	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	0.0602
Plasmodium vivax	hypothetical protein	0.0359	0.0602	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4423	0.7945	0.7945
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.263	0.4705	0.4671
Loa Loa (eye worm)	phosphatidylinositol 3	0.0359	0.0602	0.0589
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0061	0.0064	0.0619
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0359	0.0602	0.0589
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0061	0.0064	0.005
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0041	0.0028	0.0014
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.556	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0359	0.0602	0.0602
Echinococcus granulosus	Glutaredoxin protein 5	0.0041	0.0028	0.0014
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1865	0.3323	0.3323
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0359	0.0602	0.0575
Echinococcus multilocularis	serine protein kinase ATM	0.1052	0.1854	0.1842
Entamoeba histolytica	hypothetical protein	0.0359	0.0602	0.0575
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0359	0.0602	0.0728
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0041	0.0028	0.0014
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0108	0.0148	0.0148
Leishmania major	phosphatidylinositol kinase, putative	0.0359	0.0602	0.0541
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0359	0.0602	0.0575
Schistosoma mansoni	voltage-gated potassium channel	0.0126	0.0181	0.0167
Entamoeba histolytica	protein kinase, putative	0.0066	0.0074	0.0045
Leishmania major	hypothetical protein, unknown function	0.0359	0.0602	0.0541
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0061	0.0064	0.0064
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0693	0.1206	0.1181
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0359	0.0602	0.0602
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1865	0.3323	0.3313
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0061	0.0064	0.005
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.556	1	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0359	0.0602	0.0589
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0602	0.0589
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0045	0.0036	0.0007
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0041	0.0029	0.0014
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.556	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.231	0.4127	0.4089
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0359	0.0602	0.0541
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0061	0.0064	0.0036
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1865	0.3323	0.3313
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0359	0.0602	0.0728
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0061	0.0064	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Trypanosoma cruzi	target of rapamycin kinase 3	0.4427	0.7953	0.7947
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0693	0.1206	0.1206
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0359	0.0602	1
Echinococcus granulosus	serine protein kinase ATM	0.1052	0.1854	0.1842
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.1052	0.1854	0.1801
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0359	0.0602	0.0589
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1865	0.3323	0.3304
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.0602	0.0541
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0359	0.0602	0.0602
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.556	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2998	0.537	0.537
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0359	0.0602	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3322	0.5957	0.5957
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0359	0.0602	0.0575
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0066	0.0074	0.006
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.4427	0.7953	0.794
Schistosoma mansoni	immunophilin	0.0053	0.0049	0.0035
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0049	0.0035
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.1052	0.1854	0.1831
Toxoplasma gondii	target of rapamycin (TOR), putative	0.4136	0.7426	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0575
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.0602	0.0602
Onchocerca volvulus		0.0359	0.0602	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	0.0541
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0061	0.0064	0.0036
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.556	1	1
Entamoeba histolytica	protein kinase, putative	0.0066	0.0074	0.0045
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.556	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0359	0.0602	1
Loa Loa (eye worm)	hypothetical protein	0.0693	0.1206	0.1193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3322	0.5957	0.5957
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0813	0.1423	0.1411
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0359	0.0602	0.0575
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.0602	0.0541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.329	0.5897	0.5897
Loa Loa (eye worm)	phosphatidylinositol 3	0.0359	0.0602	0.0589
Entamoeba histolytica	hypothetical protein	0.0359	0.0602	0.0575
Echinococcus multilocularis	Zinc finger, PHD finger	0.0359	0.0602	0.0589
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0062	0.0066	0.0052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2998	0.537	0.537
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3002	0.5379	0.5379
Giardia lamblia	Hypothetical protein	0.0359	0.0602	0.0575
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1052	0.1854	0.1842
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0061	0.0064	0.0036
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0359	0.0602	0.0589
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.556	1	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0359	0.0602	0.0541
Schistosoma mansoni	serine/threonine-protein kinase	0.0045	0.0036	0.0022
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0359	0.0602	0.0589
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0061	0.0064	0.0036
Loa Loa (eye worm)	phosphatidylinositol 3	0.0359	0.0602	0.0589
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0359	0.0602	0.0575
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0061	0.0064	0.005
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0359	0.0602	1
Trichomonas vaginalis	conserved hypothetical protein	0.0813	0.1423	0.1423
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0061	0.0064	0.0036
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.1052	0.1854	0.1842
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.556	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.1052	0.1854	0.1831
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1865	0.3323	0.3304
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1865	0.3323	0.3323
Brugia malayi	p70 ribosomal S6 kinase beta	0.0062	0.0066	0.0052
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1865	0.3323	0.328
Schistosoma mansoni	immunophilin	0.0061	0.0064	0.005
Entamoeba histolytica	protein kinase rad3, putative	0.1052	0.1854	0.1831
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0115	0.0162	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0359	0.0602	0.0602
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0359	0.0602	0.0589
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0061	0.0064	0.0619
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0061	0.0064	0.005
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0045	0.0036	0.0007
Loa Loa (eye worm)	hypothetical protein	0.1172	0.2071	0.206
Echinococcus granulosus	serine/threonine protein kinase	0.0045	0.0036	0.0022
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.0602	0.0602
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0041	0.0029	0.0014
Toxoplasma gondii	FATC domain-containing protein	0.1052	0.1854	0.2429
Trichomonas vaginalis	conserved hypothetical protein	0.0693	0.1206	0.1206
Echinococcus multilocularis	fk506 binding protein	0.0061	0.0064	0.005
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0359	0.0602	0.0602
Loa Loa (eye worm)	hypothetical protein	0.1133	0.2001	0.199
Entamoeba histolytica	hypothetical protein	0.0359	0.0602	0.0575
Schistosoma mansoni	voltage-gated potassium channel	0.0126	0.0181	0.0167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.329	0.5897	0.5897
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1492	0.265	0.265
Echinococcus multilocularis	nervana 2	0.0041	0.0028	0.0014
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0066	0.0074	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4423	0.7945	0.7945
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0602	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0813	0.1423	0.1411
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0359	0.0602	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1052	0.1854	0.1854
Mycobacterium leprae	conserved hypothetical protein	0.0359	0.0602	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4136	0.7426	0.7426
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3002	0.5379	0.5379
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0359	0.0602	0.0589
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0359	0.0602	0.0575
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1865	0.3323	0.3323
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0359	0.0602	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.556	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0359	0.0602	0.0602
Trichomonas vaginalis	AGC family protein kinase	0.0066	0.0074	0.0074
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0359	0.0602	0.0575
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0359	0.0602	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0359	0.0602	0.0728
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4747	0.8531	0.8531

Activities

Activity type	Activity value	Assay description	Source	Reference
Log 1/D50 (functional)	= 4.39	Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice.	ChEMBL.	7069706
Log 1/LD10 (ADMET)	= 4.3	Compound concentration in mole/kg/day lethal to 10% of mice	ChEMBL.	7069706

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 177922