TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.452 | Formula: C21H22N8O2
H donors: 3 H acceptors: 6 LogP: 1.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cn1)Nc1ncc(cc1c1nc(C)nc2c1nc[nH]2)N1CC[C@@H](C1)O
InChi: 1S/C21H22N8O2/c1-12-26-18(19-21(27-12)25-11-24-19)16-7-14(29-6-5-15(30)10-29)9-23-20(16)28-13-3-4-17(31-2)22-8-13/h3-4,7-9,11,15,30H,5-6,10H2,1-2H3,(H,23,28)(H,24,25,26,27)/t15-/m0/s1
InChiKey: IMLFYVBAKGAECZ-HNNXBMFYSA-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
Leishmania mexicana	phosphatidylinositol 3 kinase, 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
Leishmania major	target of rapamycin (TOR) kinase 1, putative	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
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	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
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
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
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
Trichomonas vaginalis	PIKK family atypical protein kinase	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
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
Trypanosoma congolense	Phosphatidylinositol 3-kinase tor2	Get druggable targets OG5_127212	All targets in OG5_127212
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
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_127212	All targets in OG5_127212
Toxoplasma gondii	target of rapamycin (TOR), 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
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	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
Giardia lamblia	GTOR	Get druggable targets OG5_127212	All targets in OG5_127212
Schistosoma japonicum	ko:K07203 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
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	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
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	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
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), 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
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 donovani	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	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
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
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	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	PIKK family atypical protein kinase	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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family 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
Leishmania infantum	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
Trypanosoma brucei gambiense	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
Leishmania donovani	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
Schistosoma japonicum	FKBP12-rapamycin complex-associated protein, putative	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
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	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
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
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
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, 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
Candida albicans	frameshifted from upstream TOR2 CDS (CaP19.1905)	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
Trypanosoma brucei gambiense	phosphatidylinositol 3-kinase tor, 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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	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
Trypanosoma congolense	Phosphatidylinositol 3-kinase tor1	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
Loa Loa (eye worm)	hypothetical protein	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
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
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
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
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
Candida albicans	frameshifted from upsteam TOR2 CDS (CaP19.9461)	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

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
Echinococcus granulosus	cathepsin L	0.007	0.1763	0.1634
Brugia malayi	Cathepsin L-like precursor	0.0128	0.4122	0.403
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0272	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0511	0.0898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Giardia lamblia	Cathepsin B precursor	0.0106	0.3199	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Echinococcus granulosus	cathepsin l1	0.0128	0.4122	0.403
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0085	0.2362	0.5564
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.1203	0.2644
Loa Loa (eye worm)	phosphatidylinositol 3	0.0202	0.7073	0.7027
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0275	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.2513	0.2396
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0043	0.0685	0.0539
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.2176	0.2053
Brugia malayi	Papain family cysteine protease containing protein	0.007	0.1763	0.1634
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0128	0.4122	0.403
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0058	0.1277	0.114
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0128	0.4122	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0106	0.3199	0.3093
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0128	0.4122	0.403
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0047	0.0832	0.0688
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0226	0.8045	0.8014
Echinococcus multilocularis	cathepsin b	0.0275	1	1
Brugia malayi	Cathepsin L-like precursor	0.0128	0.4122	0.403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1763	0.4277
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0128	0.4122	0.403
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.007	0.1763	0.1634
Onchocerca volvulus		0.0128	0.4122	1
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2513	0.2396
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0043	0.0685	0.1338
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0128	0.4122	0.403
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0106	0.3199	0.7196
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.4122	0.403
Entamoeba histolytica	hypothetical protein	0.0098	0.288	0.6871
Brugia malayi	Papain family cysteine protease containing protein	0.007	0.1763	0.1634
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.3853	0.3756
Brugia malayi	Cathepsin L-like precursor	0.0088	0.2513	0.2396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.027	0.0293
Brugia malayi	Cathepsin L-like precursor	0.004	0.056	0.0412
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0106	0.3199	0.7675
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0088	0.2513	0.2396
Entamoeba histolytica	cysteine proteinase, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0122	0.3853	0.9321
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0043	0.0685	0.1662
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0275	1	1
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.083	0.1703
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0106	0.3199	0.3093
Onchocerca volvulus	Cathepsin L homolog	0.0128	0.4122	1
Giardia lamblia	GTOR	0.0058	0.1277	0.3687
Toxoplasma gondii	cathepsin CPL	0.0128	0.4122	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0036	0.0403	0.0253
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.083	0.1703
Echinococcus granulosus	cathepsin L cysteine protease	0.007	0.1763	0.1634
Onchocerca volvulus		0.0128	0.4122	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.056	0.0412
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.004	0.056	0.0412
Onchocerca volvulus	Cathepsin F homolog	0.0128	0.4122	1
Brugia malayi	Cathepsin L-like precursor	0.0128	0.4122	0.403
Entamoeba histolytica	cysteine proteinase, putative	0.007	0.1763	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0128	0.4122	0.403
Plasmodium falciparum	cysteine proteinase falcipain 1	0.007	0.1763	0.4054
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.004	0.056	0.0412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0272	0.0297
Brugia malayi	Cathepsin L-like precursor	0.0128	0.4122	0.403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.027	0.0293
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0029	0.0126	0.0305
Leishmania major	cysteine peptidase A (CPA)	0.0128	0.4122	1
Loa Loa (eye worm)	hypothetical protein	0.0275	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.083	0.1703
Giardia lamblia	Cathepsin B precursor	0.0106	0.3199	1
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0098	0.288	0.6871
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0036	0.0403	0.0253
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.083	0.1703
Loa Loa (eye worm)	hypothetical protein	0.004	0.056	0.0412
Schistosoma mansoni	cathepsin F (C01 family)	0.0128	0.4122	0.403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1277	0.283
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.083	0.1703
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0043	0.0685	0.1338
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0061	0.139	0.4057
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.1763	0.1634
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0031	0.0206	0.0169
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1277	0.283
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.4122	0.403
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Loa Loa (eye worm)	cathepsin B	0.0106	0.3199	0.3093
Loa Loa (eye worm)	hypothetical protein	0.008	0.2176	0.2053
Brugia malayi	cathepsin L-like precursor	0.0088	0.2513	0.2396
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Loa Loa (eye worm)	cysteine protease	0.0128	0.4122	0.403
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0558	0.1017
Echinococcus multilocularis	cysteine protease	0.0128	0.4122	0.403
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0275	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0128	0.4122	1
Entamoeba histolytica	cysteine proteinase, putative	0.0128	0.4122	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0085	0.2362	0.5564
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0629	0.0482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0272	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.027	0.0293
Plasmodium vivax	vivapain-2	0.0128	0.4122	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0058	0.1277	0.283
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0275	1	1
Echinococcus multilocularis	cathepsin b	0.0275	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0058	0.1277	0.114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Onchocerca volvulus	Cathepsin L homolog	0.0128	0.4122	1
Entamoeba histolytica	cysteine proteinase, putative	0.0128	0.4122	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.004	0.056	0.0412
Loa Loa (eye worm)	ctsf protein	0.0128	0.4122	0.403
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0226	0.8045	0.8014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.1763	0.4054
Onchocerca volvulus		0.0128	0.4122	1
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0043	0.0685	0.0539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0398	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0128	0.4122	0.403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0106	0.3199	0.7762
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2513	0.5946
Loa Loa (eye worm)	hypothetical protein	0.004	0.056	0.0412
Plasmodium vivax	unspecified product	0.004	0.056	0.1024
Schistosoma mansoni	cathepsin s	0.004	0.056	0.0412
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.007	0.1763	0.1634
Echinococcus granulosus	cathepsin b	0.0275	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.004	0.056	0.0412
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0058	0.1277	0.114
Echinococcus multilocularis	cathepsin L cysteine protease	0.0128	0.4122	0.403
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0043	0.0685	0.1338
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1763	0.4277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0398	0.0614
Echinococcus granulosus	cathepsin b	0.0275	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Entamoeba histolytica	cysteine proteinase, putative	0.007	0.1763	0.4054
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0044	0.0717	0.1419
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0043	0.0685	0.0539
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Brugia malayi	Papain family cysteine protease containing protein	0.0128	0.4122	0.403
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0128	0.4122	0.403
Echinococcus granulosus	cathepsin l1	0.0088	0.2513	0.2396
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0047	0.0832	0.2018
Echinococcus granulosus	cysteine protease	0.007	0.1763	0.1634
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.3853	0.3756
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0058	0.1277	0.1353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0128	0.4122	0.403
Loa Loa (eye worm)	hypothetical protein	0.0088	0.2513	0.2396
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0043	0.0685	0.1338
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Plasmodium vivax	unspecified product	0.007	0.1763	0.4054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0272	0.0297
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122	0.3853	0.3756
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Trypanosoma cruzi	cruzipain precursor, putative	0.004	0.056	0.0412
Onchocerca volvulus		0.0128	0.4122	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0128	0.4122	0.403
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Toxoplasma gondii	cathepsin B	0.0106	0.3199	0.7675
Trypanosoma cruzi	cysteine proteinase, putative	0.007	0.1763	0.1634
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Plasmodium vivax	vivapain-2	0.0128	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0122	0.3853	0.9321
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.007	0.1763	0.1634
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0122	0.3853	0.9321
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0128	0.4122	0.403
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.2176	0.2053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0398	0.0614
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0122	0.3853	0.9321
Echinococcus multilocularis	cysteine protease	0.0128	0.4122	0.403
Brugia malayi	Cathepsin L-like precursor	0.0128	0.4122	0.403
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0275	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0385	0.0581
Plasmodium vivax	vivapain-3	0.007	0.1763	0.4054
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.1277	0.114
Onchocerca volvulus		0.0088	0.2513	0.5946
Onchocerca volvulus		0.0128	0.4122	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0043	0.0685	0.1338
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.4122	0.403
Schistosoma mansoni	cathepsin F (C01 family)	0.0128	0.4122	0.403
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Entamoeba histolytica	cysteine protease, putative	0.0128	0.4122	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0115	0.3571	0.8611
Trypanosoma cruzi	cysteine proteinase, putative	0.007	0.1763	0.1634
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.2513	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0958	0.2025
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0058	0.1277	0.114
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.1277	0.114
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0058	0.1277	0.3098
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.4122	0.403
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0058	0.1277	0.283
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0058	0.1277	0.3098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.3144	0.3037
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0128	0.4122	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0128	0.4122	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0226	0.8045	0.8014
Plasmodium vivax	vivapain-1	0.007	0.1763	0.4054
Loa Loa (eye worm)	fibroinase	0.0128	0.4122	0.403
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0088	0.2513	0.2396
Echinococcus multilocularis	cathepsin L	0.007	0.1763	0.1634
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0385	0.0581
Trypanosoma cruzi	cysteine protease, putative	0.007	0.1763	0.1634
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.2176	0.2053
Entamoeba histolytica	cysteine proteinase, putative	0.007	0.1763	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.2513	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0717	0.1419
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0128	0.4122	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0058	0.1277	0.114
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Entamoeba histolytica	cysteine proteinase 2	0.007	0.1763	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0128	0.4122	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.4122	1
Onchocerca volvulus		0.0128	0.4122	1
Onchocerca volvulus		0.0128	0.4122	1
Giardia lamblia	Cathepsin B precursor	0.0106	0.3199	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0058	0.1277	0.1353
Leishmania major	cathepsin L-like protease	0.0128	0.4122	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.1277	0.283
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.007	0.1763	0.1634
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.007	0.1763	0.4054
Entamoeba histolytica	cysteine protease, putative	0.007	0.1763	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0128	0.4122	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0088	0.2513	0.2396
Loa Loa (eye worm)	hypothetical protein	0.0088	0.2513	0.2396

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 839 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)	= 47 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)	= 47 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: CHEMBL3646532

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2003602