TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.4 | Formula: C20H17FN8O
H donors: 2 H acceptors: 6 LogP: 2.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cn1)Nc1nc(ncc1c1nc(C)nc(n1)N)c1ccc(cc1)F
InChi: 1S/C20H17FN8O/c1-11-25-18(29-20(22)26-11)15-10-24-17(12-3-5-13(21)6-4-12)28-19(15)27-14-7-8-16(30-2)23-9-14/h3-10H,1-2H3,(H,24,27,28)(H2,22,25,26,29)
InChiKey: JKEWMSQXWXBURR-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mechanistic target of rapamycin (serine/threonine kinase)	Starlite/ChEMBL	No references
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, 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
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	GTOR	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	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	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
Loa Loa (eye worm)	hypothetical 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 japonicum	FKBP12-rapamycin complex-associated protein, 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
Toxoplasma gondii	target of rapamycin (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
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	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
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
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	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
Trypanosoma brucei	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
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	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	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
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 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
Leishmania major	target of rapamycin (TOR) kinase 2, putative	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
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
Trichomonas vaginalis	PIKK family atypical protein kinase	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
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
Leishmania donovani	Phosphatidylinositol 3-kinase tor1	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
Loa Loa (eye worm)	phosphatidylinositol 3	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
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
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
Loa Loa (eye worm)	hypothetical protein	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
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
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
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
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	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
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, 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
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
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	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
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
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
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	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
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
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	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
Leishmania donovani	Phosphatidylinositol 3-kinase tor2	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 tor, putative	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
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, 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
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

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 multilocularis	Immunoglobulin	0.0047	0.062	0.0612
Echinococcus granulosus	delta-like protein 1	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Echinococcus multilocularis	neurogenic locus protein delta	0.0032	0.0108	0.01
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0111	0.281	0.2803
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0043	0.0478	0.1477
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0043	0.0478	0.047
Onchocerca volvulus		0.006	0.105	1
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0042	0.043	0.0422
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0122	0.3186	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0032	0.0108	0.01
Echinococcus multilocularis	roundabout 2	0.0075	0.1565	0.1557
Echinococcus multilocularis	neurogenic locus protein delta	0.0032	0.0108	0.01
Plasmodium falciparum	thioredoxin reductase	0.0111	0.281	0.2803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0984	0.307
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Echinococcus granulosus	protein jagged 2	0.0032	0.0108	0.01
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0226	0.6769	0.6767
Loa Loa (eye worm)	hypothetical protein	0.0047	0.062	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0111	0.281	0.2803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0602	0.1868
Schistosoma mansoni	laminin gamma-3 chain	0.0032	0.0108	0.01
Onchocerca volvulus		0.0032	0.0108	0.0957
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Echinococcus granulosus	C type lectin domian containing protein	0.006	0.105	0.1042
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0111	0.281	0.281
Loa Loa (eye worm)	notch protein	0.0032	0.0108	0.01
Echinococcus multilocularis	notch	0.0032	0.0108	0.01
Loa Loa (eye worm)	phosphatidylinositol 3	0.0202	0.5938	0.5935
Plasmodium vivax	glutathione reductase, putative	0.032	1	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0111	0.281	0.2803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0602	0.1868
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0369	0.1135
Plasmodium falciparum	thioredoxin reductase	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0233	0.0705
Toxoplasma gondii	rhoptry neck protein RON1	0.006	0.105	0.1042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0984	0.307
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0111	0.281	0.2803
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0043	0.0478	0.0478
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0984	0.0976
Toxoplasma gondii	EGF family domain-containing protein	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0124	0.0362
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0058	0.0984	0.0976
Onchocerca volvulus		0.0032	0.0108	0.0957
Echinococcus granulosus	twitchin	0.0059	0.1035	0.1027
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Echinococcus multilocularis	slit 2 protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0104	0.258	0.2574
Trypanosoma brucei	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0029	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0066	0.128	0.1272
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Onchocerca volvulus		0.006	0.105	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0111	0.281	0.2803
Schistosoma mansoni	notch	0.0032	0.0108	0.01
Onchocerca volvulus		0.006	0.105	1
Schistosoma mansoni	notch	0.0032	0.0108	0.01
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0111	0.281	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Schistosoma mansoni	notch	0.0032	0.0108	0.01
Schistosoma mansoni	notch	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0602	0.1868
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0111	0.281	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Echinococcus granulosus	protein jagged 1	0.0032	0.0108	0.01
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0111	0.281	0.2803
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0111	0.281	0.2803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0233	0.0705
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0058	0.0984	0.0976
Schistosoma mansoni	notch	0.0032	0.0108	0.01
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0081	0.1798	0.179
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0226	0.6769	0.6767
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0233	0.0705
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0063	0.115	0.1142
Echinococcus multilocularis	neural cadherin	0.0032	0.0108	0.01
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0111	0.281	0.281
Echinococcus granulosus	thioredoxin glutathione reductase	0.032	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.032	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0036	0.0237	0.0229
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0058	0.0984	0.0976
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0122	0.3186	1
Schistosoma mansoni	cell polarity protein	0.0032	0.0108	0.01
Brugia malayi	Sushi domain	0.006	0.105	0.1042
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0111	0.281	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0111	0.281	0.2803
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122	0.3186	0.318
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0125	0.0367
Schistosoma mansoni	slit	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0711	0.2211
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Echinococcus multilocularis	neurogenic locus notch protein	0.0032	0.0108	0.01
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0032	0.0108	0.01
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0036	0.0237	0.0229
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0029	0.0009	0.0009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0063	0.115	0.1142
Loa Loa (eye worm)	thioredoxin reductase	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0602	0.1868
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0056	0.0921	0.2872
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0058	0.0984	0.0976
Echinococcus granulosus	neurogenic locus notch protein 4	0.0032	0.0108	0.01
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0043	0.0478	0.047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Onchocerca volvulus		0.0032	0.0108	0.0957
Schistosoma mansoni	septate junction protein	0.0032	0.0108	0.01
Onchocerca volvulus		0.006	0.105	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0085	0.1912	0.5989
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0111	0.281	0.2803
Brugia malayi	Calcium binding EGF domain containing protein	0.0032	0.0108	0.01
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Plasmodium falciparum	glutathione reductase	0.032	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0111	0.281	0.2803
Echinococcus granulosus	neurogenic locus notch protein	0.0032	0.0108	0.01
Echinococcus granulosus	neurogenic locus protein delta	0.0032	0.0108	0.01
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0081	0.1798	0.179
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Plasmodium falciparum	glutathione reductase	0.0111	0.281	0.2803
Trichomonas vaginalis	glutathione reductase, putative	0.0111	0.281	0.8816
Loa Loa (eye worm)	hypothetical protein	0.0047	0.062	0.0612
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0058	0.0984	0.307
Onchocerca volvulus		0.006	0.105	1
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0124	0.0362
Toxoplasma gondii	rhoptry neck protein RON9	0.006	0.105	0.1042
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1565	0.1557
Brugia malayi	pregnancy-associated plasma protein-A	0.006	0.105	0.1042
Brugia malayi	Delta serrate ligand family protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Echinococcus granulosus	c4b binding protein beta chain	0.006	0.105	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0063	0.115	0.1142
Echinococcus granulosus	defective proboscis extension response	0.0047	0.062	0.0612
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0058	0.0984	0.0976
Giardia lamblia	High cysteine protein	0.0032	0.0108	0.0356
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0047	0.0604	0.0595
Brugia malayi	GCC2 and GCC3 family protein	0.0092	0.2161	0.2154
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0043	0.0478	0.047
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Loa Loa (eye worm)	glutathione reductase	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0602	0.1868
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0122	0.3186	1
Schistosoma mansoni	notch	0.0032	0.0108	0.01
Echinococcus multilocularis	protein jagged 1	0.0032	0.0108	0.01
Entamoeba histolytica	hypothetical protein	0.0098	0.2355	0.7384
Leishmania major	trypanothione reductase	0.032	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0043	0.0478	0.1477
Giardia lamblia	GTOR	0.0058	0.0984	0.3482
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0111	0.281	0.281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0222	0.067
Toxoplasma gondii	thioredoxin reductase	0.032	1	1
Trypanosoma brucei	NADH dehydrogenase	0.0029	0.0009	0.0009
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0043	0.0478	0.1477
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0047	0.062	0.0612
Trypanosoma cruzi	target of rapamycin kinase 3	0.0047	0.0604	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0047	0.062	0.0612
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0043	0.0478	0.1477
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Echinococcus multilocularis	Immunoglobulin	0.0047	0.062	0.0612
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0047	0.062	0.0612
Plasmodium vivax	thioredoxin reductase, putative	0.032	1	1
Echinococcus multilocularis	C type lectin domian containing protein	0.006	0.105	0.1042
Schistosoma mansoni	vesicular amine transporter	0.0047	0.062	0.0612
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0061	0.1081	0.3827
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.1752	0.1745
Echinococcus granulosus	neural cadherin	0.0032	0.0108	0.01
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0111	0.281	0.2803
Toxoplasma gondii	NADPH-glutathione reductase	0.0111	0.281	0.2803
Onchocerca volvulus		0.006	0.105	1
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Brugia malayi	Calcium binding EGF domain containing protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	Notch2	0.0032	0.0108	0.01
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Onchocerca volvulus		0.006	0.105	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Echinococcus granulosus	slit 2 protein	0.0032	0.0108	0.01
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0111	0.281	0.2803
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.1752	0.1745
Loa Loa (eye worm)	hypothetical protein	0.008	0.1752	0.1745
Echinococcus granulosus	Immunoglobulin	0.0047	0.062	0.0612
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.006	0.105	0.1042
Brugia malayi	Cadherin domain containing protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0098	0.2355	0.7384
Echinococcus granulosus	neuroglian	0.0059	0.1035	0.1027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Brugia malayi	notch-like transmembrane receptor	0.0032	0.0108	0.01
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0111	0.281	0.2803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0029	0.0009	0.0009
Echinococcus multilocularis	fibropellin Ia	0.0032	0.0108	0.01
Echinococcus granulosus	notch	0.0032	0.0108	0.01
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0111	0.281	0.2803
Brugia malayi	Fibronectin type III domain containing protein	0.0047	0.062	0.0612
Onchocerca volvulus		0.006	0.105	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0058	0.0984	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Onchocerca volvulus		0.0032	0.0108	0.0957
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.006	0.105	0.1042
Trypanosoma brucei	2,4-dienoyl-coa reductase-like protein	0.0029	0.0009	0.0009
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0044	0.0506	0.0497
Schistosoma mansoni	nephrin	0.0059	0.1035	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0122	0.3186	1
Onchocerca volvulus	Slit protein homolog	0.0032	0.0108	0.0957
Onchocerca volvulus		0.0032	0.0108	0.0957
Brugia malayi	Thioredoxin reductase	0.032	1	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0222	0.067
Echinococcus multilocularis	c4b binding protein beta chain	0.006	0.105	0.1042
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0043	0.0478	0.1477
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.3186	0.318
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0111	0.281	1
Echinococcus multilocularis	neuroglian	0.0059	0.1035	0.1027
Echinococcus granulosus	protein jagged 1	0.0032	0.0108	0.01
Brugia malayi	Muscle positioning protein 4	0.0032	0.0108	0.01
Echinococcus multilocularis	protein jagged 2	0.0032	0.0108	0.01
Schistosoma mansoni	c4b-binding protein beta chain	0.006	0.105	0.1042
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0226	0.6769	0.6767
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0058	0.0984	0.0976
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0058	0.0984	0.0976
Onchocerca volvulus	Neurogenic locus notch homolog	0.0032	0.0108	0.0957
Schistosoma mansoni	cell adhesion molecule	0.0063	0.115	0.1142
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	hypothetical protein	0.0047	0.062	0.0612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0125	0.0367
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122	0.3186	0.318
Trypanosoma brucei	trypanothione reductase	0.032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0111	0.281	0.281
Trichomonas vaginalis	mercuric reductase, putative	0.0111	0.281	0.8816
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0058	0.0984	0.0984
Brugia malayi	hypothetical protein	0.0047	0.062	0.0612
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0125	0.0367
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0047	0.0604	0.0604
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.1752	0.1745
Onchocerca volvulus	Putative cubilin	0.0032	0.0108	0.0957
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0506	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2161	0.2154
Trypanosoma cruzi	trypanothione reductase, putative	0.032	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0111	0.281	0.2803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0125	0.0367
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0115	0.2945	0.9242
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0047	0.062	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.01
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0111	0.281	0.2803
Plasmodium vivax	apical sushi protein, putative	0.006	0.105	0.1042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0124	0.0362
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0111	0.281	1
Echinococcus multilocularis	protein jagged 1	0.0032	0.0108	0.01
Echinococcus granulosus	protein jagged 2	0.0032	0.0108	0.01
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0111	0.281	1
Plasmodium falciparum	apical sushi protein	0.006	0.105	0.1042
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0111	0.281	1
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Onchocerca volvulus		0.006	0.105	1
Echinococcus granulosus	neurogenic locus notch protein	0.0032	0.0108	0.01
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0111	0.281	0.2803
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0111	0.281	0.2803
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0032	0.0108	0.0957
Echinococcus granulosus	roundabout 2	0.0075	0.1565	0.1557
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Echinococcus multilocularis	thioredoxin glutathione reductase	0.032	1	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0032	0.0108	0.01
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0031	0.0069	0.0214
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0063	0.115	0.1142
Onchocerca volvulus		0.006	0.105	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0108	0.01
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0111	0.281	0.2803
Brugia malayi	Cadherin domain containing protein	0.0032	0.0108	0.01
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0984	0.0976
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0111	0.281	1
Brugia malayi	EGF-like domain containing protein	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0329	0.1008
Echinococcus multilocularis	neurogenic locus notch protein	0.0032	0.0108	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0984	0.307
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1565	0.1557
Brugia malayi	hypothetical protein	0.006	0.105	0.1042
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0058	0.0984	0.307
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0085	0.1912	0.5989
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0047	0.062	0.0612
Treponema pallidum	NADH oxidase	0.0111	0.281	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.062	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0047	0.062	0.0612
Echinococcus granulosus	fibropellin Ia	0.0032	0.0108	0.01
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0032	0.0108	0.01

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10000 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)	= 504 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)	= 504 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: CHEMBL3646465

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1999659