TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.557 | Formula: C22H25N9O3S
H donors: 2 H acceptors: 7 LogP: 1.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cn1)Nc1ncc(cc1c1nc(C)nc2c1nc[nH]2)N1CCN(CC1)S(=O)(=O)C
InChi: 1S/C22H25N9O3S/c1-14-27-19(20-22(28-14)26-13-25-20)17-10-16(30-6-8-31(9-7-30)35(3,32)33)12-24-21(17)29-15-4-5-18(34-2)23-11-15/h4-5,10-13H,6-9H2,1-3H3,(H,24,29)(H,25,26,27,28)
InChiKey: ADOWSBVOHPXUHY-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	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	No references
Homo sapiens	mechanistic target of rapamycin (serine/threonine kinase)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma brucei	phosphatidylinositol 4-kinase, 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
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family 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
Leishmania donovani	Phosphatidylinositol 3-kinase tor2	Get druggable targets OG5_127212	All targets in OG5_127212
Candida albicans	frameshifted from upstream TOR2 CDS (CaP19.1905)	Get druggable targets OG5_127212	All targets in OG5_127212
Candida albicans	frameshifted from upsteam TOR2 CDS (CaP19.9461)	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
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
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Toxoplasma gondii	target of rapamycin (TOR), putative	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
Schistosoma japonicum	ko:K07203 FKBP12-rapamycin complex-associated protein, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Giardia lamblia	GTOR	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
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
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
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
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma brucei gambiense	phosphatidylinositol 3-kinase 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
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	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 major	target of rapamycin (TOR) kinase 2, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma congolense	Phosphatidylinositol 3-kinase tor2	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	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania major	target of rapamycin (TOR) kinase 1, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	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
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
Leishmania mexicana	phosphatidylinositol 3 kinase, 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	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania infantum	target of rapamycin (TOR) kinase 1, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, 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
Leishmania mexicana	phosphatidylinositol 3-kinase (tor2)-like protein	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma congolense	Phosphatidylinositol 3-kinase tor1	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
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
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
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
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	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	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma brucei gambiense	phosphatidylinositol 3 kinase, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania infantum	target of rapamycin (TOR) kinase 2, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Echinococcus multilocularis	FKBP12 rapamycin complex associated 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
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, 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
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
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_127212	All targets in OG5_127212
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	hypothetical 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
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_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
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	FKBP12 rapamycin complex associated 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
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	FKBP12-rapamycin complex-associated protein, putative	Get druggable targets OG5_127212	All targets in OG5_127212
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Toxoplasma gondii	cathepsin CPL	0.0105	0.3933	1
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0056	0.1507	0.263
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0056	0.1507	0.3832
Brugia malayi	cathepsin B-like cysteine proteinase	0.0174	0.7388	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0782	0.051
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0338	0.0005
Onchocerca volvulus		0.0105	0.3933	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1587	0.281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1587	0.281
Echinococcus granulosus	cathepsin b	0.0174	0.7388	0.6924
Brugia malayi	cathepsin L-like precursor	0.0072	0.2279	0.274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0174	0.7388	1
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0036	0.0501	0.0213
Echinococcus multilocularis	cathepsin b	0.0174	0.7388	0.6924
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.1587	0.1757
Onchocerca volvulus	Cathepsin L homolog	0.0105	0.3933	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2279	0.2284
Echinococcus granulosus	cathepsin l1	0.0105	0.3933	0.2856
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0115	0.4438	0.911
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.007	0.2184	0.1899
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Entamoeba histolytica	hypothetical protein	0.0098	0.358	0.6931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0495	0.0356
Onchocerca volvulus		0.0105	0.3933	1
Brugia malayi	Cathepsin L-like precursor	0.0105	0.3933	0.509
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0174	0.7388	0.7293
Trypanosoma cruzi	cysteine proteinase, putative	0.0056	0.1507	0.1643
Onchocerca volvulus		0.0105	0.3933	1
Brugia malayi	Cathepsin L-like precursor	0.0105	0.3933	0.509
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0061	0.1728	0.7634
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1587	0.281
Echinococcus multilocularis	cysteine protease	0.0105	0.3933	0.2856
Echinococcus multilocularis	cathepsin L cysteine protease	0.0105	0.3933	0.2856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0495	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2279	0.2284
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0056	0.1507	0.1198
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122	0.4789	0.6306
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1032	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.007	0.2184	0.5552
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0338	0.0005
Trypanosoma cruzi	cysteine proteinase, putative	0.0056	0.1507	0.1643
Echinococcus granulosus	cathepsin l1	0.0072	0.2279	0.0909
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0693	0.0803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0072	0.2279	0.274
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0174	0.7388	0.7293
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.007	0.2184	0.3966
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0338	0.0005
Entamoeba histolytica	cysteine proteinase 2	0.0056	0.1507	0.1666
Entamoeba histolytica	cysteine proteinase, putative	0.0056	0.1507	0.1666
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0105	0.3933	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0479	0.032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0043	0.0851	0.1157
Entamoeba histolytica	cysteine proteinase, putative	0.0056	0.1507	0.1666
Brugia malayi	Papain family cysteine protease containing protein	0.0056	0.1507	0.1643
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.4789	0.6306
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0174	0.7388	0.7293
Brugia malayi	Cathepsin L-like precursor	0.0105	0.3933	0.509
Entamoeba histolytica	cysteine proteinase, putative	0.0056	0.1507	0.1666
Entamoeba histolytica	cysteine proteinase, putative	0.0056	0.1507	0.1666
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.1587	0.1465
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0098	0.358	0.6931
Echinococcus multilocularis	cysteine protease	0.0105	0.3933	0.2856
Entamoeba histolytica	cysteine proteinase 1, putative	0.0056	0.1507	0.1666
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0058	0.1587	0.4036
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1032	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trypanosoma cruzi	target of rapamycin kinase 3	0.0047	0.1034	0.0971
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0495	0.0356
Loa Loa (eye worm)	fibroinase	0.0105	0.3933	0.4244
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3933	0.509
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0105	0.3933	0.2856
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0058	0.1587	0.1869
Loa Loa (eye worm)	cathepsin B	0.007	0.2184	0.2171
Echinococcus granulosus	cathepsin b	0.0174	0.7388	0.6924
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0105	0.3933	0.2856
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0105	0.3933	0.2856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1032	0.1562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0058	0.1587	0.1757
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0105	0.3933	0.4244
Brugia malayi	Cathepsin L-like precursor	0.0072	0.2279	0.274
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0122	0.4789	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0058	0.1587	0.4036
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0105	0.3933	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0105	0.3933	0.2856
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0058	0.1587	0.1869
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Brugia malayi	Papain family cysteine protease containing protein	0.0105	0.3933	0.509
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2279	0.2284
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Echinococcus multilocularis	cathepsin b	0.0174	0.7388	0.6924
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0058	0.1587	0.1909
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.007	0.2184	0.4149
Plasmodium vivax	vivapain-2	0.0105	0.3933	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0122	0.4789	1
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.3908	0.5055
Entamoeba histolytica	cysteine proteinase, putative	0.0105	0.3933	0.7826
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0072	0.2279	0.274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Toxoplasma gondii	cathepsin B	0.007	0.2184	0.4248
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3933	0.509
Loa Loa (eye worm)	hypothetical protein	0.0174	0.7388	0.8337
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.007	0.2184	0.2604
Loa Loa (eye worm)	phosphatidylinositol 3	0.0202	0.8792	1
Entamoeba histolytica	cysteine proteinase, putative	0.0072	0.2279	0.3626
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0226	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1032	0.1562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Plasmodium vivax	unspecified product	0.0056	0.1507	0.3228
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Giardia lamblia	Cathepsin B precursor	0.007	0.2184	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0226	1	1
Loa Loa (eye worm)	cysteine protease	0.0105	0.3933	0.4244
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0043	0.0851	0.0711
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0635	0.0671
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.2704	0.141
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0122	0.4789	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0029	0.0156	0.0397
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0058	0.1587	0.1909
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0047	0.1034	0.2629
Schistosoma mansoni	cathepsin F (C01 family)	0.0105	0.3933	0.3712
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0058	0.1587	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0043	0.0851	0.2165
Onchocerca volvulus		0.0105	0.3933	1
Plasmodium vivax	vivapain-2	0.0105	0.3933	1
Leishmania major	cysteine peptidase A (CPA)	0.0105	0.3933	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.4789	0.6306
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.2704	0.3344
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0058	0.1587	0.1757
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0056	0.1507	0.1198
Giardia lamblia	Cathepsin B precursor	0.007	0.2184	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Giardia lamblia	Cathepsin B precursor	0.007	0.2184	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0072	0.2279	0.1998
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trypanosoma cruzi	cysteine protease, putative	0.0056	0.1507	0.1643
Loa Loa (eye worm)	hypothetical protein	0.0105	0.3933	0.4244
Loa Loa (eye worm)	ctsf protein	0.0105	0.3933	0.4244
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3933	0.509
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3933	0.509
Entamoeba histolytica	cysteine protease, putative	0.0105	0.3933	0.7826
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0056	0.1507	0.1198
Onchocerca volvulus		0.0105	0.3933	1
Onchocerca volvulus		0.0105	0.3933	1
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0105	0.3933	0.8078
Leishmania major	cathepsin L-like protease	0.0105	0.3933	1
Giardia lamblia	GTOR	0.0058	0.1587	0.6906
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0105	0.3933	0.4244
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Brugia malayi	Cathepsin L-like precursor	0.0072	0.2279	0.274
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0056	0.1507	0.1643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1032	0.1562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0338	0.0005
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0043	0.0851	0.1157
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0085	0.2936	0.5839
Loa Loa (eye worm)	hypothetical protein	0.008	0.2704	0.2788
Loa Loa (eye worm)	phosphatidylinositol 3	0.0036	0.0501	0.0178
Brugia malayi	Cathepsin L-like precursor	0.0105	0.3933	0.509
Brugia malayi	Cathepsin L-like precursor	0.0105	0.3933	0.509
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Entamoeba histolytica	cysteine proteinase, putative	0.0105	0.3933	0.7826
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.2704	0.141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0056	0.1507	0.3832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.119	0.1918
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.2279	0.4364
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.2279	0.4364
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.1496	0.1637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0892	0.1248
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0105	0.3933	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0105	0.3933	0.3712
Onchocerca volvulus	Cathepsin L homolog	0.0105	0.3933	1
Entamoeba histolytica	cysteine protease, putative	0.0056	0.1507	0.1666
Plasmodium vivax	vivapain-1	0.0056	0.1507	0.3228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0479	0.032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3933	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.3933	0.8078
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0105	0.3933	0.8078
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0174	0.7388	0.7293
Brugia malayi	Cathepsin L-like precursor	0.0105	0.3933	0.509
Onchocerca volvulus	Cathepsin F homolog	0.0105	0.3933	1
Onchocerca volvulus		0.0105	0.3933	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0056	0.1507	0.263
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0058	0.1587	0.1281
Plasmodium vivax	vivapain-3	0.0056	0.1507	0.3228
Trypanosoma cruzi	cysteine peptidase, putative	0.0056	0.1507	0.1643
Trypanosoma cruzi	cruzipain precursor, putative	0.0105	0.3933	0.509
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0058	0.1587	0.0094
Brugia malayi	Papain family cysteine protease containing protein	0.0056	0.1507	0.1643
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0122	0.4789	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0105	0.3933	0.2856
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0043	0.0851	0.0519
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0085	0.2936	0.5839
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0043	0.0851	0.1157
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0043	0.0851	0.0711

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 186 nM	BindingDB_Patents: In Vitro Inhibition Assay. The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vitro setting. Active mTOR phosphorylates eukaryotic translation initiation factor 4E binding protein 1 (4E-BP1) on residue threonine 46. This phosphorylation event can be detected with a phospho-specific terbium (Tb) labeled Ab, in turn bringing the Tb label in close proximity to the GFP tagged 4E-BP1 and allowing for time-resolved fluorescence resonance energy transfer (TR-FRET), which correlates 4E-BP1 phosphorylation levels with mTOR kinase activity.	ChEMBL.	No reference
Ki (binding)	= 23 nM	BindingDB_Patents: Alphascreen Assay. The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI3Kgamma, and PI3Kdelta. Each of these enzymes phosphorylates the 3'-hydroxyl group on phosphatidylinositiol (4,5)-bisphosphate (PIP2) to produce phosphatidylinositol (3,4,5)-trisphosphate (PIP3). This phosphorylation activity is measured using a GST-tagged PIP3 binding protein (Echelon Biosciences, Salt Lake City, Utah), an anti-GST-tagged Acceptor bead, and streptavidin-Donor bead. The interaction of biotinylated-PIP3 analog (IP4) and the PIP3 binding protein brings both Acceptor and Donor beads together producing, upon excitation of the Donor beads at 680 nm, a singlet oxygen species leading to the luminescent AlphaScreen signal. When PIP3 is produced via phosphorylation of PIP2 by a PI3K, PIP3 competes with biotinylated-PIP3 analog (IP4) for binding to the PIP3 binding protein.	ChEMBL.	No reference
Ki (binding)	= 23 nM	BindingDB_Patents: Alphascreen Assay. The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI3Kgamma, and PI3Kdelta. Each of these enzymes phosphorylates the 3'-hydroxyl group on phosphatidylinositiol (4,5)-bisphosphate (PIP2) to produce phosphatidylinositol (3,4,5)-trisphosphate (PIP3). This phosphorylation activity is measured using a GST-tagged PIP3 binding protein (Echelon Biosciences, Salt Lake City, Utah), an anti-GST-tagged Acceptor bead, and streptavidin-Donor bead. The interaction of biotinylated-PIP3 analog (IP4) and the PIP3 binding protein brings both Acceptor and Donor beads together producing, upon excitation of the Donor beads at 680 nm, a singlet oxygen species leading to the luminescent AlphaScreen signal. When PIP3 is produced via phosphorylation of PIP2 by a PI3K, PIP3 competes with biotinylated-PIP3 analog (IP4) for binding to the PIP3 binding protein.	ChEMBL.	No reference

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: CHEMBL3646445

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1995261