TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 371.846 | Formula: C15H21ClF3NO2S
H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCN[C@H]1CCc2c(C1)c(ccc2)CS(=O)(=O)C(F)(F)F.Cl
InChi: 1S/C15H20F3NO2S.ClH/c1-2-8-19-13-7-6-11-4-3-5-12(14(11)9-13)10-22(20,21)15(16,17)18;/h3-5,13,19H,2,6-10H2,1H3;1H/t13-;/m0./s1
InChiKey: BVTJSHGCLHKRMV-ZOWNYOTGSA-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	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled	Starlite/ChEMBL	References
Mus musculus	5-hydroxytryptamine (serotonin) receptor 1A	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133680	All targets in OG5_133680
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_133680	All targets in OG5_133680
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	5-hydroxytryptamine (serotonin) receptor 1A	421 aa	350 aa	21.1 %
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	protein kinase, putative	0.0107	0.0715	0.0684
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0369	0.3161	0.2895
Echinococcus granulosus	serine threonine protein kinase nrc	0.0067	0.0337	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0034	0.0034
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0071	0.0374	0.0353
Loa Loa (eye worm)	phosphatidylinositol 3	0.0369	0.3161	0.3161
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0369	0.3161	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0876	0.7895	0.789
Loa Loa (eye worm)	phosphatidylinositol 3	0.0071	0.0374	0.0374
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0369	0.3161	0.3146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0658	0.5859	0.585
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1101	1	1
Brugia malayi	Protein kinase domain containing protein	0.0107	0.0715	0.0684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0137	0.0993	0.0973
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1101	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0071	0.0374	0.0039
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0067	0.0337	0.0305
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0071	0.0374	0.5
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0035	0.0034	0.0034
Trypanosoma cruzi	target of rapamycin kinase 3	0.0877	0.7903	0.783
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0071	0.0374	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	0.0342
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0071	0.0374	0.0039
Echinococcus granulosus	serine/threonine protein kinase	0.0074	0.0399	0.0367
Echinococcus multilocularis	serotonin receptor	0.0159	0.1192	0.1162
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0071	0.0374	0.0342
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0208	0.1657	0.1366
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0071	0.0374	0.0342
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0208	0.1657	0.1629
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0876	0.7895	0.789
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0369	0.3161	0.3138
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0071	0.0374	0.0039
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0208	0.1657	0.1332
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.5266	0.5256
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.0374	1
Entamoeba histolytica	hypothetical protein	0.0208	0.1657	0.1629
Loa Loa (eye worm)	phosphatidylinositol 3	0.0071	0.0374	0.0374
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1101	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0071	0.0374	0.0353
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0074	0.0399	0.0064
Schistosoma mansoni	serine/threonine-protein kinase	0.0074	0.0399	0.0367
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0521	0.4577	0.4366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0876	0.7895	0.789
Echinococcus granulosus	nervana 2	0.0066	0.033	0.0298
Trichomonas vaginalis	conserved hypothetical protein	0.0137	0.0993	0.0973
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0035	0.0034	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1101	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0034	0.0011
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0369	0.3161	0.3138
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0066	0.033	0.0298
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1101	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0715	0.639	0.6382
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	0.0342
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0071	0.0374	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0374	0.0374
Echinococcus multilocularis	nervana 2	0.0066	0.033	0.0298
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0369	0.3161	0.2923
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0071	0.0374	0.0374
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0071	0.0374	0.0039
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0071	0.0374	0.0342
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0096	0.0074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0071	0.0374	0.0353
Loa Loa (eye worm)	phosphatidylinositol 3	0.0071	0.0374	0.0374
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0044	0.0011
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0071	0.0374	0.0039
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0137	0.0993	0.0679
Trypanosoma cruzi	adenosine kinase, putative	0.017	0.1298	0.0995
Loa Loa (eye worm)	hypothetical protein	0.0224	0.1807	0.1807
Schistosoma mansoni	hypothetical protein	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.5258	0.5248
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.5266	0.5256
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0876	0.7895	0.789
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0071	0.0374	0.0342
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	0.0342
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0369	0.3161	0.2923
Echinococcus multilocularis	serine protein kinase ATM	0.0208	0.1657	0.1629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0208	0.1657	0.1629
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0161	0.1215	0.1186
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0074	0.0399	0.0367
Entamoeba histolytica	protein kinase rad3, putative	0.0208	0.1657	0.1629
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	0.0342
Entamoeba histolytica	protein kinase, putative	0.0107	0.0715	0.0684
Echinococcus multilocularis	Glutaredoxin protein 5	0.0066	0.033	0.0298
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0107	0.0715	0.0715
Toxoplasma gondii	kinase, pfkB family protein	0.017	0.1298	0.1321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0739	0.6612	0.6605
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.0374	0.0342
Entamoeba histolytica	hypothetical protein	0.0071	0.0374	0.0342
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0071	0.0374	0.0039
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	0.0039
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1101	1	1
Loa Loa (eye worm)	hypothetical protein	0.0232	0.1879	0.1879
Brugia malayi	Adenosine kinase-like	0.017	0.1298	0.1269
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.0374	0.0342
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0071	0.0374	0.0342
Mycobacterium leprae	conserved hypothetical protein	0.0071	0.0374	0.5
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1192	0.1192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.1657	0.1638
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0071	0.0374	0.0039
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1101	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.2471	0.2455
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0071	0.0374	0.0039
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0035	0.0034	0.0034
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0161	0.1215	0.1186
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0044	0.0011
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0159	0.1192	0.1162
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0067	0.0337	0.0305
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0071	0.0374	0.0342
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.0374	0.0342
Trypanosoma cruzi	Protein kinase B	0.0074	0.0399	0.0064
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0071	0.0374	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0819	0.7363	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0035	0.0034	0.0034
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.0374	0.0342
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0071	0.0374	1
Trypanosoma brucei	adenosine kinase, putative	0.017	0.1298	0.096
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1101	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.1657	0.1638
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0071	0.0374	0.0353
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0369	0.3161	0.3146
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0208	0.1657	0.1366
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0369	0.3161	0.3138
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0369	0.3161	0.3146
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0208	0.1657	0.1629
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0044	0.0011
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0075	0.0041
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0066	0.033	0.0298
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0071	0.0374	0.0353
Giardia lamblia	Hypothetical protein	0.0071	0.0374	0.0039
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Trichomonas vaginalis	conserved hypothetical protein	0.0232	0.1879	0.1861
Schistosoma mansoni	adenosine kinase	0.017	0.1298	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0658	0.5859	0.585
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0071	0.0374	0.0342
Trypanosoma brucei	adenosine kinase, putative	0.017	0.1298	0.096
Echinococcus multilocularis	serotonin receptor	0.0159	0.1192	0.1162
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0071	0.0374	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0651	0.5798	0.5789
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0071	0.0374	0.0342
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.5258	0.5248
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0071	0.0374	0.0353
Echinococcus granulosus	biogenic amine 5HT receptor	0.0159	0.1192	0.1162
Schistosoma mansoni	adenosine kinase	0.017	0.1298	0.1269
Loa Loa (eye worm)	hypothetical protein	0.0208	0.1657	0.1657
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.5266	0.5256
Brugia malayi	FAT domain containing protein	0.0161	0.1215	0.1186
Loa Loa (eye worm)	phosphatidylinositol 3	0.1101	1	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0066	0.033	0.0298
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.0374	0.0342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0071	0.0374	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1215	0.1215
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0044	0.0044
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.0715	0.0694
Entamoeba histolytica	protein kinase 2, putative	0.0067	0.0337	0.0305
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0071	0.0374	0.0039
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0034	0.0027	0.0004
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0071	0.0374	0.0342
Toxoplasma gondii	FATC domain-containing protein	0.0208	0.1657	0.1835
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0876	0.7895	0.789
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0071	0.0374	0.0342
Echinococcus granulosus	serine protein kinase ATM	0.0208	0.1657	0.1629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.5266	0.5256
Trypanosoma cruzi	adenosine kinase, putative	0.017	0.1298	0.0995
Echinococcus multilocularis		0.0071	0.0374	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1192	0.1192
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0071	0.0374	0.0353
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1101	1	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0074	0.0399	0.0367
Echinococcus multilocularis	rac serine:threonine kinase	0.0074	0.0399	0.0367
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0369	0.3161	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.094	0.8495	0.8492
Echinococcus multilocularis	Zinc finger, PHD finger	0.0071	0.0374	0.0342
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0071	0.0374	0.0353
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0071	0.0374	0.0342
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0071	0.0374	0.0353
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0101	0.0653	0.0653
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0208	0.1657	0.1629
Schistosoma mansoni	hypothetical protein	0.0161	0.1215	0.1186
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0232	0.1879	0.2153
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0075	0.0041
Leishmania major	adenosine kinase, putative	0.017	0.1298	0.096
Entamoeba histolytica	hypothetical protein	0.0071	0.0374	0.0342
Onchocerca volvulus		0.0151	0.1117	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.2738	0.2738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0651	0.5798	0.5789
Entamoeba histolytica	hypothetical protein	0.0071	0.0374	0.0342
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0071	0.0374	0.0353
Loa Loa (eye worm)	phosphatidylinositol 3	0.0071	0.0374	0.0374
Echinococcus granulosus	adenosine kinase	0.017	0.1298	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1101	1	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0369	0.3161	0.2895
Echinococcus granulosus	nervana 2	0.0066	0.033	0.0298
Toxoplasma gondii	AGC kinase	0.0101	0.0653	0.0399
Brugia malayi	p70 ribosomal S6 kinase beta	0.0101	0.0653	0.0622
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1101	1	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0071	0.0374	0.0342
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0071	0.0374	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0457	0.3984	0.375
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0071	0.0374	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0369	0.3161	0.3146
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0035	0.0034	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1101	1	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0071	0.0374	0.0374
Echinococcus multilocularis	adenosine kinase	0.017	0.1298	0.1269
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0369	0.3161	0.3138
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0071	0.0374	0.0342
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0071	0.0374	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0071	0.0374	0.0039
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0208	0.1657	0.1629
Entamoeba histolytica	hypothetical protein	0.0071	0.0374	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0374	0.0374
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0071	0.0374	0.0353
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0071	0.0374	0.0342
Trichomonas vaginalis	conserved hypothetical protein	0.0161	0.1215	0.1196
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0071	0.0374	0.0039
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0877	0.7903	0.7822
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0071	0.0374	0.0039
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0071	0.0374	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0208	0.1657	0.1638
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0034	0.0011
Trichomonas vaginalis	AGC family protein kinase	0.0035	0.0034	0.0011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0819	0.7363	0.7358
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0071	0.0374	0.0342
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0071	0.0374	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0035	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0993	0.0993
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0107	0.0715	0.0354
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0071	0.0374	0.0342
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1101	1	1
Giardia lamblia	GTOR	0.1101	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0071	0.0374	0.0353
Echinococcus multilocularis	nervana 2	0.0066	0.033	0.0298
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0071	0.0374	0.0342
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0877	0.7903	0.7822
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0208	0.1657	0.1629
Loa Loa (eye worm)	hypothetical protein	0.017	0.1298	0.1298
Plasmodium vivax	hypothetical protein	0.0071	0.0374	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1101	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0071	0.0374	0.0374
Schistosoma mansoni	serine/threonine-protein kinase	0.0074	0.0399	0.0367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0369	0.3161	0.3146
Entamoeba histolytica	protein kinase, putative	0.0101	0.0653	0.0622
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0208	0.1657	0.1629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0658	0.5859	0.585
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0071	0.0374	0.0353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.5258	0.5248

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 13 nM	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand	ChEMBL.	7731017
Ki (binding)	= 157 nM	In vitro binding affinity towards 5-hydroxytryptamine 1D receptor alpha by using [3H]-5-HT as radioligand	ChEMBL.	7731017
Ki (binding)	= 225 nM	In vitro binding affinity towards Dopamine receptor D2 by using [3H]-U-86,170 as radioligand	ChEMBL.	7731017
Ki (binding)	> 413 nM	In vitro binding affinity towards Dopamine receptor D2 by using [3H]-spiperone as radioligand	ChEMBL.	7731017
Ki (binding)	= 1255 nM	In vitro binding affinity towards 5-hydroxytryptamine 1D receptor beta by using [3H]-5-HT as radioligand	ChEMBL.	7731017
Ki (binding)	= 1570 nM	In vitro binding affinity towards Dopamine receptor D3 by using [3H]-spiperone as radioligand	ChEMBL.	7731017

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: CHEMBL2021524

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 920159