TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 219.241 | Formula: C14H9N3
H donors: 1 H acceptors: 2 LogP: 2.54 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: n1ccc(cc1)C#Cc1n[nH]c2c1cccc2
InChi: 1S/C14H9N3/c1-2-4-13-12(3-1)14(17-16-13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,(H,16,17)
InChiKey: SHPLHKPOBQVQPG-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	pyruvate dehydrogenase kinase, isozyme 1	Starlite/ChEMBL	References
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	References
Homo sapiens	mechanistic target of rapamycin (serine/threonine kinase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	Get druggable targets OG5_127212	All targets in OG5_127212
Candida albicans	similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Neospora caninum	Phosphatidylinositol 3-kinase tor2, related	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	GTOR	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania donovani	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma japonicum	ko:K00898 pyruvate dehydrogenase kinase [EC2.7.11.2], putative	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127409	All targets in OG5_127409
Candida albicans	frameshifted from upstream TOR2 CDS (CaP19.1905)	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania braziliensis	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Candida albicans	similar to S. pombe SPAC644.11c predicted pyruvate dehydrogenase kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Candida albicans	similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Candida albicans	frameshifted from upsteam TOR2 CDS (CaP19.9461)	Get druggable targets OG5_127212	All targets in OG5_127212
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127212	All targets in OG5_127212
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Toxoplasma gondii	target of rapamycin (TOR), putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Brugia malayi	kinase, mitochondrial precursor	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma japonicum	ko:K07203 FKBP12-rapamycin complex-associated protein, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania major	target of rapamycin (TOR) kinase 1, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania braziliensis	target of rapamycin (TOR) kinase 2, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania mexicana	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania donovani	Phosphatidylinositol 3-kinase tor2	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma brucei gambiense	developmentally regulated phosphoprotein	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma japonicum	ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania major	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania infantum	target of rapamycin (TOR) kinase 1, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma brucei gambiense	phosphatidylinositol 3 kinase, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania donovani	Phosphatidylinositol 3-kinase tor1	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma congolense	developmentally regulated phosphoprotein, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma japonicum	[Pyruvate dehydrogenase [lipoamide]] kinase, mitochondrial precursor, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania infantum	target of rapamycin (TOR) kinase 2, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania major	target of rapamycin (TOR) kinase 2, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania infantum	developmentally regulated phosphoprotein-like protein	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma brucei	developmentally regulated phosphoprotein	Get druggable targets OG5_127409	All targets in OG5_127409
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma brucei gambiense	phosphatidylinositol 3-kinase tor, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania mexicana	phosphatidylinositol 3 kinase, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma congolense	Phosphatidylinositol 3-kinase tor2	Get druggable targets OG5_127212	All targets in OG5_127212
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma congolense	Phosphatidylinositol 3-kinase tor1	Get druggable targets OG5_127212	All targets in OG5_127212
Candida albicans	similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase (tor2)-like protein	Get druggable targets OG5_127212	All targets in OG5_127212
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	pyruvate dehydrogenase kinase, isozyme 1	456 aa	397 aa	22.7 %
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	1068 aa	927 aa	29.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.2683	0.7962
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0085	0.1645	0.5839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0667	0.1918
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0043	0.0477	0.1157
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0058	0.0889	0.114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0889	0.281
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0043	0.0477	0.0651
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0058	0.0889	0.2697
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0047	0.0579	0.1757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.019	0.0005
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0122	0.2683	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0144	0.3298	0.2644
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0043	0.0477	0.1157
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.019	0.0005
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.219	0.1799
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122	0.2683	0.2317
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0043	0.0477	0.1447
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0058	0.0889	0.2017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0578	0.1562
Entamoeba histolytica	hypothetical protein	0.0098	0.2006	0.6931
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0061	0.0968	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0115	0.2487	0.911
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0578	0.1562
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0043	0.0477	0.1157
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0058	0.0889	0.1869
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0141	0.3219	0.2557
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0141	0.3219	0.2879
Loa Loa (eye worm)	hypothetical protein	0.008	0.1515	0.127
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0058	0.0889	0.114
Loa Loa (eye worm)	hypothetical protein	0.0144	0.3298	0.3105
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0226	0.5603	0.5174
Trypanosoma cruzi	target of rapamycin kinase 3	0.0047	0.0579	0.099
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0141	0.3219	0.2557
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0085	0.1645	0.5839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.019	0.0005
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.2683	0.7962
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0141	0.3219	0.2879
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.0678	0.0364
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.019	0.0005
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0141	0.3219	0.2557
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0383	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0389	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0438	0.0162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0268	0.032
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0226	0.5603	0.5174
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0889	0.0626
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0578	0.1562
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0058	0.0889	0.2017
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.1515	0.109
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0144	0.3298	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0122	0.2683	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0122	0.2683	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.0678	0.2056
Schistosoma mansoni	pyruvate dehydrogenase	0.0136	0.3074	0.2727
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0144	0.3298	0.2644
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0383	1	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0144	0.3298	0.2962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0058	0.0889	0.2697
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0578	0.1562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0889	0.281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0058	0.0889	0.1869
Loa Loa (eye worm)	phosphatidylinositol 3	0.0202	0.4926	0.478
Brugia malayi	kinase, mitochondrial precursor	0.0144	0.3298	0.2962
Giardia lamblia	GTOR	0.0058	0.0889	0.9047
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0122	0.2683	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0277	0.0356
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0029	0.0088	0.0266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0889	0.281
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0098	0.2006	0.6931
Schistosoma mansoni	pyruvate dehydrogenase	0.0136	0.3074	0.2727
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0268	0.032
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.1515	0.0687
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.005	0.0678	0.4436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0356	0.0671
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0058	0.0902	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0383	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0058	0.0889	0.0433
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0889	0.0433
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.05	0.1248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0578	0.1562
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0144	0.3298	0.2644
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.1515	0.0687
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0277	0.0356
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0277	0.0356
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0141	0.3219	0.2557
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0144	0.3298	1
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0383	1	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0141	0.3219	0.3023
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0838	0.1637
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.0678	0.1317
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0144	0.3298	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0226	0.5603	0.5383

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 2.43 uM	Growth inhibition of human PC3 cells after 72 hrs by ATPlite assay	ChEMBL.	21062009
GI50 (functional)	= 2.53 uM	Growth inhibition of human HeLa cells after 72 hrs by ATPlite assay	ChEMBL.	21062009
GI50 (functional)	= 2.58 uM	Growth inhibition of human MCF7 cells after 72 hrs by ATPlite assay	ChEMBL.	21062009
GI50 (functional)	= 7.84 uM	Growth inhibition of human MDA-MB-231 cells after 72 hrs by ATPlite assay	ChEMBL.	21062009
IC50 (binding)	= 0.36 uM	Inhibition of PI3Kalpha by LanthaScreen Eu kinase binding assay	ChEMBL.	21062009
IC50 (binding)	= 3.87 uM	Inhibition of PDK1 by Z'-LYTE kinase activity assay	ChEMBL.	21062009
IC50 (binding)	= 10.7 uM	Inhibition of mTOR by LanthaScreen Eu kinase binding assay	ChEMBL.	21062009
IC50 (binding)	= 13.6 uM	Inhibition of mTORC1 expressed in HEK293 cells assessed as PRAS40 Ser183 phosphorylation level by LanthaScreen cellular assay	ChEMBL.	21062009
IC50 (binding)	= 39 uM	Inhibition of PI3Kdelta	ChEMBL.	21062009
IC50 (binding)	= 40 uM	Inhibition of PI3Kgamma	ChEMBL.	21062009
Inhibition (binding)		Inhibition of AKT1 by biochemical assay	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of CDK5/P25 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of IKKalpha at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of CLK2 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of FLT3 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of FLT4 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of GSG2 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of IRAK1 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of JNK1 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of JNK2 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of KDR at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of LRKK2 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of MAP4K4 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of MARK4 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of MELK at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of MINK1 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of MUSK at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of MYLK2 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of NTRK1 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of NTRK2 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of NTRK3 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of NUAK1 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of SGK1 at 10 uM	ChEMBL.	21062009
Inhibition (binding)	>= 50 %	Inhibition of SYK at 10 uM	ChEMBL.	21062009

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: CHEMBL1631892

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1465398