TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 494.523 | Formula: C23H22N6O5S
H donors: 4 H acceptors: 6 LogP: 2.27 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: NCC(=O)NCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-]
InChi: 1S/C23H22N6O5S/c24-14-22(30)25-11-12-35(33,34)28-16-7-5-15(6-8-16)26-23-18-3-1-2-4-20(18)27-21-13-17(29(31)32)9-10-19(21)23/h1-10,13,28H,11-12,14,24H2,(H,25,30)(H,26,27)
InChiKey: XCOGHDFCFAAFKO-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0261	0.0611	0.0611
Entamoeba histolytica	hypothetical protein	0.0261	0.0611	0.0593
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1359	0.3329	0.3329
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0025	0.0025	0.0006
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0261	0.0611	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.0611	0.0611
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0074	0.0148	0.0148
Schistosoma mansoni	immunophilin	0.006	0.0113	0.0113
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2631	0.6479	0.6479
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4053	1	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0025	0.0025	0.0025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.3329	0.3329
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0611	0.0611
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.006	0.0113	0.0113
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.4053	1	1
Brugia malayi	Protein kinase domain containing protein	0.0036	0.0053	0.0053
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0023	0.002	0.002
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.006	0.0113	0.0113
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0261	0.0611	0.5
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0261	0.0611	0.0611
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1917	0.471	0.4682
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3224	0.7946	0.7946
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0611	0.0611
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0261	0.0611	0.0611
Loa Loa (eye worm)	phosphatidylinositol 3	0.4053	1	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0261	0.0611	0.0611
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0261	0.0611	0.0504
Plasmodium vivax	hypothetical protein, conserved	0.0261	0.0611	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0767	0.1862	0.1846
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	0.0593
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2188	0.5383	0.5383
Echinococcus granulosus	serine/threonine protein kinase	0.0025	0.0025	0.0025
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1359	0.3329	0.3316
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0767	0.1862	0.1846
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0261	0.0611	1
Echinococcus multilocularis	voltage gated potassium channel	0.0022	0.0017	0.0017
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0767	0.1862	0.1846
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3224	0.7946	0.7946
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0261	0.0611	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0767	0.1862	0.1818
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0261	0.0611	0.0561
Loa Loa (eye worm)	phosphatidylinositol 3	0.0261	0.0611	0.0611
Entamoeba histolytica	hypothetical protein	0.0261	0.0611	0.0593
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.006	0.0113	0.0093
Trypanosoma cruzi	Protein kinase B	0.0025	0.0025	0.0006
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0261	0.0611	0.0593
Echinococcus granulosus	serine threonine protein kinase nrc	0.0023	0.002	0.002
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0074	0.0148	0.0148
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0261	0.0611	0.0504
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.3227	0.7955	0.7944
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0261	0.0611	0.0611
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0025	0.0006
Schistosoma mansoni	immunophilin	0.006	0.0113	0.0113
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0593
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.4053	1	1
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0261	0.0611	0.0593
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0261	0.0611	0.0611
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.4053	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0261	0.0611	0.0611
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0074	0.0148	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2422	0.5961	0.5961
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1359	0.3329	0.3329
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1359	0.3329	0.3253
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3224	0.7946	0.7946
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.3329	0.3329
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0023	0.002	0.002
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Loa Loa (eye worm)	phosphatidylinositol 3	0.0261	0.0611	0.0611
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.006	0.0113	0.1577
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.3329	0.3329
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0261	0.0611	0.0611
Leishmania major	hypothetical protein, unknown function	0.0261	0.0611	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0034	0.0048	0.0048
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0261	0.0611	0.0611
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0261	0.0611	0.0611
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0261	0.0611	0.0763
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0261	0.0611	0.0593
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0261	0.0611	0.0611
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0261	0.0611	0.0593
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.006	0.0113	0.0093
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Mycobacterium leprae	conserved hypothetical protein	0.0261	0.0611	0.5
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0261	0.0611	0.0611
Entamoeba histolytica	protein kinase, putative	0.0036	0.0053	0.0034
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.4053	1	1
Loa Loa (eye worm)	hypothetical protein	0.0854	0.2079	0.2079
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.006	0.0113	0.0093
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.0611	0.0611
Giardia lamblia	Hypothetical protein	0.0261	0.0611	0.0593
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0767	0.1862	0.1862
Echinococcus granulosus	nervana 2	0.0022	0.0019	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.0854	0.2079	0.2079
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0261	0.0611	0.0593
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0593	0.1431	0.1431
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.4053	1	1
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.006	0.0113	0.0113
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0261	0.0611	0.0763
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0261	0.0611	0.0611
Toxoplasma gondii	target of rapamycin (TOR), putative	0.3014	0.7428	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2719	0.6696	0.6696
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.007	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0593	0.1431	0.1431
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0261	0.0611	0.0593
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.006	0.0113	0.0093
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0261	0.0611	0.0611
Trichomonas vaginalis	fk506-binding protein, putative	0.006	0.0113	0.0113
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0767	0.1862	0.1862
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0261	0.0611	0.0611
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0261	0.0611	0.0611
Entamoeba histolytica	hypothetical protein	0.0767	0.1862	0.1846
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0767	0.1862	0.1862
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1359	0.3329	0.3253
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0124	0.0124
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0593
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2188	0.5383	0.5383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3224	0.7946	0.7946
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2185	0.5375	0.5375
Echinococcus multilocularis	serine protein kinase ATM	0.0767	0.1862	0.1862
Loa Loa (eye worm)	hypothetical protein	0.0593	0.1431	0.1431
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.006	0.0113	0.0093
Onchocerca volvulus		0.0261	0.0611	0.5
Entamoeba histolytica	protein kinase, putative	0.0036	0.0053	0.0034
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0052	0.0092	0.0092
Schistosoma mansoni	hypothetical protein	0.0261	0.0611	0.0611
Echinococcus multilocularis	Glutaredoxin protein 5	0.0022	0.0019	0.0019
Echinococcus granulosus	Glutaredoxin protein 5	0.0022	0.0019	0.0019
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.006	0.0113	0.006
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0022	0.0017	0.0017
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.006	0.0113	0.0113
Echinococcus granulosus	nervana 2	0.0022	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1087	0.2656	0.2656
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2398	0.5901	0.5901
Schistosoma mansoni	voltage-gated potassium channel	0.0081	0.0165	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0017	0.0017
Entamoeba histolytica	hypothetical protein	0.0261	0.0611	0.0593
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0052	0.0092	0.0092
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0261	0.0611	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0826	0.2009	0.2009
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0505	0.1214	0.1197
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.0017	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0767	0.1862	0.1862
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0022	0.0019	0.0019
Loa Loa (eye worm)	phosphatidylinositol 3	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.346	0.8532	0.8532
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0261	0.0611	0.0593
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.006	0.0113	0.006
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0261	0.0611	0.0611
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4053	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.3329	0.3329
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0261	0.0611	0.0611
Entamoeba histolytica	hypothetical protein	0.0261	0.0611	0.0593
Plasmodium vivax	hypothetical protein	0.0261	0.0611	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2188	0.5383	0.5383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0261	0.0611	0.0611
Toxoplasma gondii	FATC domain-containing protein	0.0767	0.1862	0.2458
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3224	0.7946	0.7946
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0593	0.1431	0.1431
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0261	0.0611	0.0763
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0593
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0261	0.0611	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0092	0.0092
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0593
Brugia malayi	p70 ribosomal S6 kinase beta	0.0034	0.0048	0.0048
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.006	0.0113	0.0093
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0261	0.0611	0.0611
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.006	0.0113	0.0113
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0261	0.0611	0.0611
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.4053	1	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0767	0.1862	0.1862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2188	0.5383	0.5383
Echinococcus multilocularis		0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2185	0.5375	0.5375
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0261	0.0611	0.0611
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	0.0611
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0261	0.0611	0.0611
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.006	0.0113	0.0093
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0261	0.0611	0.0611
Echinococcus multilocularis	fk506 binding protein	0.006	0.0113	0.0113
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2398	0.5901	0.5901
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0261	0.0611	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	0.0593
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2422	0.5961	0.5961
Brugia malayi	FAT domain containing protein	0.0593	0.1431	0.1431
Trichomonas vaginalis	conserved hypothetical protein	0.0505	0.1214	0.1214
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.0611	0.0611
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0025	0.0006
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0854	0.2079	0.2752
Trichomonas vaginalis	immunophilin, putative	0.006	0.0113	0.0113
Schistosoma mansoni	immunophilin	0.0052	0.0092	0.0092
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0025	0.0025
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0074	0.0148	0.0148
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0261	0.0611	0.0611
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0261	0.0611	0.0611
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0767	0.1862	0.1862
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.006	0.0113	0.0113
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.3329	0.3329
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1359	0.3329	0.3316
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0261	0.0611	0.0593
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1359	0.3329	0.3329
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0767	0.1862	0.1862
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.4053	1	1
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.006	0.0113	0.5
Loa Loa (eye worm)	hypothetical protein	0.0767	0.1862	0.1862
Trichomonas vaginalis	conserved hypothetical protein	0.0593	0.1431	0.1431
Echinococcus multilocularis	nervana 2	0.0022	0.0019	0.0019
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0261	0.0611	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2422	0.5961	0.5961
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2185	0.5375	0.5375
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.0611	0.0611
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0261	0.0611	0.0611
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.4053	1	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0767	0.1862	0.1862
Loa Loa (eye worm)	phosphatidylinositol 3	0.1359	0.3329	0.3329
Loa Loa (eye worm)	phosphatidylinositol 3	0.0261	0.0611	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0505	0.1214	0.1214
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	0.0504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0767	0.1862	0.1862
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.3227	0.7955	0.7931
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.006	0.0113	0.0113
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.006	0.0113	0.0093
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.006	0.0113	0.1577
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.4053	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.0017	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4053	1	1
Leishmania major	phosphatidylinositol kinase, putative	0.0261	0.0611	0.0504
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0261	0.0611	0.0611
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0261	0.0611	0.0611
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0261	0.0611	0.0593
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3014	0.7428	0.7428
Entamoeba histolytica	protein kinase, putative	0.0034	0.0048	0.0028
Trichomonas vaginalis	AGC family protein kinase	0.0036	0.0053	0.0053
Echinococcus granulosus	serine protein kinase ATM	0.0767	0.1862	0.1862
Loa Loa (eye worm)	FKBP5 protein	0.006	0.0113	0.0113
Trypanosoma cruzi	target of rapamycin kinase 3	0.3227	0.7955	0.7951
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0261	0.0611	0.0593
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.006	0.0113	0.0113
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0261	0.0611	0.0611
Schistosoma mansoni	voltage-gated potassium channel	0.0081	0.0165	0.0165
Echinococcus multilocularis	Zinc finger, PHD finger	0.0261	0.0611	0.0611
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0022	0.0019	0.0019
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0022	0.0017	0.0017
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0261	0.0611	0.0763
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.007	0.0136	0.0136
Entamoeba histolytica	protein kinase rad3, putative	0.0767	0.1862	0.1846
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0593
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0261	0.0611	0.0593
Leishmania major	hypothetical protein, conserved	0.0261	0.0611	0.0504
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1359	0.3329	0.3329
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0261	0.0611	0.0611
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0022	0.0017	0.0017
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.4053	1	1
Echinococcus multilocularis	nervana 2	0.0022	0.0019	0.0019
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0261	0.0611	0.0611
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1359	0.3329	0.3294
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0261	0.0611	0.0593
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0036	0.0053	0.0053
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0261	0.0611	0.0593
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1683	0.4132	0.4101
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.4053	1	1
Echinococcus granulosus	voltage gated potassium channel	0.0022	0.0017	0.0017
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0261	0.0611	0.0763
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0025	0.0025
Onchocerca volvulus		0.0261	0.0611	0.5
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1359	0.3329	0.3294
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.006	0.0113	0.0113
Giardia lamblia	GTOR	0.4053	1	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0261	0.0611	0.0611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0505	0.1214	0.1214
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.006	0.0113	0.5
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0261	0.0611	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ILSmax (functional)	= 170 %	Tumor cell selectivity determined as maximal percent increase in life span (ILSmax) at LD10 dosage level in L1210 cells	ChEMBL.	7120279
ILSmax (functional)	= 170 %	Tumor cell selectivity determined as maximal percent increase in life span (ILSmax) at LD10 dosage level in L1210 cells	ChEMBL.	7120279
Log 1/D50 (functional)	= 4.27	Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice.	ChEMBL.	7069706
Log 1/LD10 (ADMET)	= 3.36	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.

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: CHEMBL106396

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 176394