TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 251.302 | Formula: C12H13NO3S
H donors: 0 H acceptors: 2 LogP: 1.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(CC2OC1CC2)c1nccs1
InChi: 1S/C12H13NO3S/c1-15-12(14)10-8(11-13-4-5-17-11)6-7-2-3-9(10)16-7/h4-5,7,9H,2-3,6H2,1H3
InChiKey: NBWNRWXBZFXLJY-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	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.1514	0.185	0.185
Loa Loa (eye worm)	phosphatidylinositol 3	0.0521	0.0583	0.0583
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0521	0.0583	0.0583
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0584	0.0664	0.0618
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.7902	1	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0521	0.0583	0.0583
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0541	0.061	0.061
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0521	0.0583	0.0536
Echinococcus granulosus	serine protein kinase ATM	0.1514	0.185	0.185
Entamoeba histolytica	protein kinase, putative	0.0096	0.0041	0.0041
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.2691	0.3352	0.3319
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4288	0.5389	0.5366
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0584	0.0664	0.0618
Entamoeba histolytica	PH domain containing protein kinase, putative	0.007	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6295	0.7949	0.7939
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.373	0.4677	0.465
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0541	0.061	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0649	0.0747	0.0747
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0159	0.0122	0.0122
Loa Loa (eye worm)	FKBP5 protein	0.0171	0.0137	0.0137
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0171	0.0137	0.0088
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0584	0.0664	0.0656
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2691	0.3352	0.3319
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0013	0.0013
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.7902	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0159	0.0122	0.0122
Giardia lamblia	GTOR	0.7902	1	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0521	0.0583	0.0452
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0541	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5129	0.6462	0.6444
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0541	0.061	0.0563
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0171	0.0137	0.0137
Echinococcus multilocularis	serotonin transporter	0.0182	0.0152	0.0152
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0521	0.0583	0.0536
Echinococcus multilocularis	rac serine:threonine kinase	0.007	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.268	0.3338	0.3305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6295	0.7949	0.7939
Onchocerca volvulus		0.0521	0.0583	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.268	0.3338	0.3305
Echinococcus multilocularis	fk506 binding protein	0.0171	0.0137	0.0137
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2733	0.3406	0.3406
Leishmania major	hypothetical protein, conserved	0.0617	0.0706	0.0577
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0541	0.061	0.0769
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0149	0.0109	0.0059
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.007	0.0008	0.0008
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2733	0.3406	0.3378
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0649	0.0747	0.0709
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0521	0.0583	0.0583
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.7902	1	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0171	0.0137	0.0088
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0102	0.0049	0.0049
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2733	0.3406	0.3406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4723	0.5944	0.5924
Loa Loa (eye worm)	serotonin transporter b	0.0182	0.0152	0.0152
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0584	0.0664	0.0664
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.7902	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0584	0.0664	0.0618
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0521	0.0583	0.0544
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0182	0.0152	0.0111
Entamoeba histolytica	PH domain containing protein kinase, putative	0.007	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0107	0.0107
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0541	0.061	0.0602
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.6301	0.7957	0.7947
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0521	0.0583	0.0544
Toxoplasma gondii	FATC domain-containing protein	0.1514	0.185	0.2448
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0521	0.0583	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6295	0.7949	0.7939
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.1514	0.185	0.181
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0521	0.0583	0.0536
Entamoeba histolytica	protein kinase, putative	0.0102	0.0049	0.0049
Schistosoma mansoni	voltage-gated potassium channel	0.0174	0.014	0.0132
Entamoeba histolytica	hypothetical protein	0.068	0.0786	0.0786
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0541	0.061	0.0563
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0521	0.0583	0.0452
Trichomonas vaginalis	conserved hypothetical protein	0.1166	0.1406	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0152	0.0152
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0521	0.0583	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5301	0.6682	0.6665
Loa Loa (eye worm)	hypothetical protein	0.1166	0.1406	0.1406
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0521	0.0583	0.0575
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1686	0.207	0.2745
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.1525	0.1865	0.1865
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0521	0.0583	0.0733
Loa Loa (eye worm)	phosphatidylinositol 3	0.0521	0.0583	0.0583
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0722	0.0841	0.0795
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0171	0.0137	0.0096
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.7902	1	1
Schistosoma mansoni	immunophilin	0.0171	0.0137	0.0129
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0722	0.0841	0.0795
Entamoeba histolytica	hypothetical protein	0.0521	0.0583	0.0583
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0147	0.0107	0.0107
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0171	0.0137	0.0088
Leishmania major	hypothetical protein, unknown function	0.0521	0.0583	0.0452
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0722	0.0841	0.0841
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0171	0.0137	0.5
Loa Loa (eye worm)	hypothetical protein	0.1686	0.207	0.207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.7902	1	1
Giardia lamblia	Hypothetical protein	0.0521	0.0583	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0095	0.0095
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0521	0.0583	0.9562
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0521	0.0583	0.9562
Echinococcus multilocularis	Zinc finger, PHD finger	0.0541	0.061	0.061
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0541	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Echinococcus multilocularis		0.0521	0.0583	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0521	0.0583	0.0583
Schistosoma mansoni	immunophilin	0.0171	0.0137	0.0129
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0171	0.0137	0.0137
Trypanosoma cruzi	Protein kinase B	0.007	0.0008	0.0008
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0657	0.0758	0.0712
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0171	0.0137	0.0096
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.1166	0.1406	0.1406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1525	0.1865	0.1825
Loa Loa (eye worm)	phosphatidylinositol 3	0.0521	0.0583	0.0583
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0159	0.0122	0.0122
Loa Loa (eye worm)	phosphatidylinositol 3	0.2691	0.3352	0.3352
Echinococcus multilocularis	serine protein kinase ATM	0.1514	0.185	0.185
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4281	0.538	0.5357
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0521	0.0583	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4288	0.5389	0.5366
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0521	0.0583	0.9562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6295	0.7949	0.7939
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0182	0.0152	0.0152
Plasmodium vivax	hypothetical protein, conserved	0.0521	0.0583	0.9562
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.1514	0.185	0.1844
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0171	0.0137	0.0137
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0615	0.0703	0.0703
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0182	0.0152	0.0144
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0649	0.0747	0.0747
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1514	0.185	0.1817
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0541	0.061	0.0479
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0793	0.093	0.093
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1514	0.185	0.181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4288	0.5389	0.5366
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0906	0.1074	0.1074
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0521	0.0583	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6295	0.7949	0.7939
Schistosoma mansoni	hypothetical protein	0.1166	0.1406	0.1399
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0541	0.061	0.0769
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0541	0.061	0.0563
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.2691	0.3352	0.326
Loa Loa (eye worm)	phosphatidylinositol 3	0.7902	1	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0541	0.061	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0541	0.061	0.061
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0541	0.061	0.061
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0521	0.0583	0.0575
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0171	0.0137	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6737	0.8513	0.8506
Mycobacterium leprae	conserved hypothetical protein	0.0521	0.0583	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0521	0.0583	0.0536
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0722	0.0841	0.084
Entamoeba histolytica	hypothetical protein	0.1514	0.185	0.185
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0563	0.0637	0.0637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4693	0.5906	0.5886
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2122	0.2626	0.2589
Echinococcus granulosus	serine/threonine protein kinase	0.007	0.0008	0.0008
Echinococcus granulosus	serotonin transporter	0.0182	0.0152	0.0152
Trichomonas vaginalis	conserved hypothetical protein	0.0993	0.1186	0.1143
Loa Loa (eye worm)	phosphatidylinositol 3	0.0863	0.102	0.102
Loa Loa (eye worm)	hypothetical protein	0.1601	0.1962	0.1962
Trichomonas vaginalis	fk506-binding protein, putative	0.0171	0.0137	0.0088
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0657	0.0758	0.0712
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0202	0.0177	0.0176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1514	0.185	0.181
Trichomonas vaginalis	immunophilin, putative	0.0171	0.0137	0.0088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.7902	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.1514	0.185	0.185
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2733	0.3406	0.3406
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0521	0.0583	0.0733
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0521	0.0583	0.0583
Brugia malayi	FAT domain containing protein	0.1166	0.1406	0.137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0521	0.0583	0.0536
Loa Loa (eye worm)	norepinephrine transporter	0.0182	0.0152	0.0152
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0607	0.0693	0.0693
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.0042	0.0042
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0171	0.0137	0.0129
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0171	0.0137	0.0137
Trichomonas vaginalis	conserved hypothetical protein	0.1686	0.207	0.2031
Brugia malayi	Protein kinase domain containing protein	0.0102	0.0049	0.0008
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.268	0.3338	0.3305
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2733	0.3406	0.3406
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0171	0.0137	0.0137
Schistosoma mansoni	fkbp-rapamycin associated protein	0.1514	0.185	0.1844
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0171	0.0137	0.0137
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0171	0.0137	0.0137
Plasmodium vivax	hypothetical protein	0.0521	0.0583	0.9562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4693	0.5906	0.5886
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0584	0.0664	0.0625
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0171	0.0137	0.0137
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.068	0.0786	0.0786
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0906	0.1074	0.1067
Entamoeba histolytica	hypothetical protein	0.0521	0.0583	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4281	0.538	0.5357
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0541	0.061	0.0571
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0993	0.1186	0.1186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4723	0.5944	0.5924
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.1166	0.1406	0.1406
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0722	0.0841	0.0795
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0521	0.0583	0.0544
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0521	0.0583	0.9562
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0171	0.0137	0.2241
Entamoeba histolytica	protein kinase, putative	0.0102	0.0049	0.0049
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0171	0.0137	0.2241
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0722	0.0841	0.0803
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0584	0.0664	0.0618
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0793	0.093	0.093
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4288	0.5389	0.5366
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.1514	0.185	0.185
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.7902	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0521	0.0583	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5889	0.7431	0.7419
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0171	0.0137	0.0088
Toxoplasma gondii	target of rapamycin (TOR), putative	0.5889	0.7431	1
Entamoeba histolytica	hypothetical protein	0.0521	0.0583	0.0583
Schistosoma mansoni	hypothetical protein	0.0521	0.0583	0.0575
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.6301	0.7957	0.7929
Schistosoma mansoni	voltage-gated potassium channel	0.0174	0.014	0.0132
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1514	0.185	0.185
Schistosoma mansoni	immunophilin	0.0147	0.0107	0.0099
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0147	0.0107	0.0107
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.7902	1	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0152	0.0152
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0649	0.0747	0.0747
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0521	0.0583	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0584	0.0664	0.0664
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0159	0.0122	0.0081
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0521	0.0583	0.0583
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.7902	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1514	0.185	0.1817
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0521	0.0583	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0993	0.1186	0.1143
Schistosoma mansoni	sodium/chloride dependent transporter	0.0182	0.0152	0.0144
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0171	0.0137	0.0137
Trypanosoma cruzi	target of rapamycin kinase 3	0.6301	0.7957	0.7957
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4281	0.538	0.5357
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4723	0.5944	0.5924
Onchocerca volvulus		0.0521	0.0583	1
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0541	0.061	0.0479
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2733	0.3406	0.34
Loa Loa (eye worm)	hypothetical protein	0.1514	0.185	0.185
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0541	0.061	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.7902	1	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0521	0.0583	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0993	0.1186	0.1186
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0541	0.061	0.0602
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.7902	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.268	0.3338	0.3245
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0171	0.0137	0.0137
Loa Loa (eye worm)	phosphatidylinositol 3	0.0521	0.0583	0.0583
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0171	0.0137	0.0137
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.3294	0.4121	0.4092
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0521	0.0583	0.0733
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0149	0.0109	0.0059
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0541	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.268	0.3338	0.3305
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0584	0.0664	0.0664
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0096	0.0041	0.0041
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0541	0.061	0.061
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.7902	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.268	0.3338	0.3305
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0521	0.0583	0.9562
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0521	0.0583	0.0583
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0521	0.0583	0.0583
Entamoeba histolytica	protein kinase rad3, putative	0.1514	0.185	0.185
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0521	0.0583	0.0536
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.7902	1	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0906	0.1074	0.1074
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0183	0.0153	0.0112
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0722	0.0841	0.0841
Leishmania major	phosphatidylinositol kinase, putative	0.0521	0.0583	0.0452
Treponema pallidum	sodium- and chloride- dependent transporter	0.0182	0.0152	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0152	0.0152
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0541	0.061	0.061

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 3 uM	Displacement of [3H]WIN 35,428 from human dopamine active transporter	ChEMBL.	22398259
IC50 (binding)	> 3 uM	Displacement of [3H]citalopram from human serotonin transporter	ChEMBL.	22398259
Inhibition (binding)		Displacement of [3H]citalopram from human serotonin transporter	ChEMBL.	22398259
Inhibition (binding)		Displacement of [3H]WIN 35,428 from human dopamine active transporter	ChEMBL.	22398259

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: CHEMBL2012095

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1635404