TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.605 | Formula: C29H33N5O
H donors: 2 H acceptors: 2 LogP: 4.67 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)CC(C(=O)Nc1cccc(c1)c1cccc(c1)c1nc2c([nH]1)c(C)ccc2)C
InChi: 1S/C29H33N5O/c1-20-7-4-12-26-27(20)32-28(31-26)24-10-5-8-22(17-24)23-9-6-11-25(18-23)30-29(35)21(2)19-34-15-13-33(3)14-16-34/h4-12,17-18,21H,13-16,19H2,1-3H3,(H,30,35)(H,31,32)
InChiKey: SDQKNXPESRXBSL-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0161	0.0219
Onchocerca volvulus		0.0027	0.0161	0.0633
Brugia malayi	Dopamine receptor	0.0019	0.0058	0.0216
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Schistosoma mansoni	hypothetical protein	0.0035	0.0266	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0285	1
Schistosoma mansoni	lamin	0.0027	0.0161	0.0219
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0388	0.07
Trichomonas vaginalis	glucosylceramidase, putative	0.0152	0.1794	0.6589
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0019	0.0058	0.0153
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Brugia malayi	G protein-coupled receptor F59B2.13	0.0019	0.0058	0.0216
Brugia malayi	Inositol-1	0.0036	0.0285	0.1065
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	TAR-binding protein	0.0064	0.0641	0.2392
Echinococcus granulosus	acetylcholinesterase	0.0061	0.0613	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	RNA, U transporter 1	0.0081	0.087	0.325
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0266	0.0441
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0641	0.1695
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0388	0.0333
Entamoeba histolytica	hypothetical protein	0.0035	0.0266	0.9025
Loa Loa (eye worm)	acetylcholinesterase 1	0.0061	0.0613	0.1623
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0155	0.041
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0236	0.5
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0285	0.0764
Entamoeba histolytica	hypothetical protein	0.0035	0.0266	0.9025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	G-protein coupled receptor	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Onchocerca volvulus		0.0027	0.0161	0.0633
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0019	0.0058	0.0216
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0641	0.1235
Trichomonas vaginalis	glucosylceramidase, putative	0.022	0.2678	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	G protein-coupled receptor	0.0019	0.0058	0.0216
Brugia malayi	putative neuropeptide receptor NPR1	0.0019	0.0058	0.0216
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Entamoeba histolytica	hypothetical protein	0.0023	0.0115	0.1407
Schistosoma mansoni	lamin	0.0027	0.0161	0.0219
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0058	0.0153
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0613	0.1623
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0641	0.1695
Echinococcus multilocularis	lamin dm0	0.0027	0.0161	0.0104
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0388	0.0333
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Schistosoma mansoni	importin beta-1	0.0029	0.0185	0.027
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0388	0.1028
Echinococcus granulosus	carboxylesterase 5A	0.0061	0.0613	0.1177
Onchocerca volvulus	Glucosylceramidase homolog	0.0145	0.1693	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0285	0.0482
Echinococcus multilocularis	snurportin 1	0.0305	0.378	0.3744
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.022	0.2678	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0382	0.4779	1
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0019	0.0058	0.0153
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0285	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0285	0.0764
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.0382	0.4779	0.4748
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0161	0.0602
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0058	0.0153
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.03	0.371	0.9815
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.022	0.2678	0.7085
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0185	0.0128
Brugia malayi	follicle stimulating hormone receptor	0.0019	0.0058	0.0216
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Brugia malayi	RNA binding protein	0.0064	0.0641	0.2392
Trichomonas vaginalis	glucosylceramidase, putative	0.0152	0.1794	0.6589
Brugia malayi	hypothetical protein	0.0035	0.0266	0.0993
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Brugia malayi	MH2 domain containing protein	0.0115	0.1314	0.4905
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0115	0.1407
Brugia malayi	putative neuropeptide receptor	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0161	0.0427
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0087	0.0063
Echinococcus granulosus	bile acid beta glucosidase	0.0382	0.4779	1
Echinococcus granulosus	non lysosomal glucosylceramidase	0.0382	0.4779	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0087	0.0231
Brugia malayi	intermediate filament protein	0.0027	0.0161	0.0602
Trichomonas vaginalis	glucosylceramidase, putative	0.022	0.2678	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0285	0.0229
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Echinococcus multilocularis	acetylcholinesterase	0.0061	0.0613	0.0559
Brugia malayi	Dopamine receptor protein 2	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Echinococcus granulosus	intermediate filament protein	0.0027	0.0161	0.0219
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0266	0.0209
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0641	0.1235
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.1314	0.3475
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	TYRA-2 protein	0.0019	0.0058	0.0153
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0285	0.5
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0285	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0613	0.1177
Plasmodium falciparum	importin beta, putative	0.0029	0.0185	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0285	1
Brugia malayi	Dopamine receptor protein 1	0.0019	0.0058	0.0216
Trichomonas vaginalis	glucosylceramidase, putative	0.022	0.2678	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	Serotonin receptor	0.0019	0.0058	0.0216
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Brugia malayi	RE15519p	0.0019	0.0058	0.0216
Schistosoma mansoni	hypothetical protein	0.0305	0.378	0.7884
Loa Loa (eye worm)	inositol-1	0.0036	0.0285	0.0754
Echinococcus multilocularis	musashi	0.0027	0.0161	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0058	0.0153
Brugia malayi	G-protein coupled receptor	0.0019	0.0058	0.0216
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0641	0.1235
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0161	0.0427
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0285	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0388	0.07
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0115	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0087	0.0326
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0185	0.027
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.378	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0115	0.0107
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0388	0.07
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	Importin beta-1 subunit	0.0029	0.0185	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	larval opioid receptor	0.0019	0.0058	0.0216
Brugia malayi	GnHR receptor homolog	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Trichomonas vaginalis	glucosylceramidase, putative	0.022	0.2678	1
Loa Loa (eye worm)	hypothetical protein	0.03	0.371	0.9815
Echinococcus granulosus	lamin dm0	0.0027	0.0161	0.0219
Echinococcus multilocularis	carboxylesterase 5A	0.0061	0.0613	0.0559
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0641	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0641	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0185	0.049
Echinococcus granulosus	snurportin 1	0.0305	0.378	0.7884
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0285	1
Echinococcus granulosus	lamin	0.0027	0.0161	0.0219
Trichomonas vaginalis	glucosylceramidase, putative	0.022	0.2678	1
Echinococcus multilocularis	lamin	0.0027	0.0161	0.0104
Loa Loa (eye worm)	melatonin receptor type 1A	0.0019	0.0058	0.0153
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0388	0.07
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0185	0.4959
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0285	0.0482
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0285	0.0482
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0641	0.2392
Entamoeba histolytica	hypothetical protein	0.0035	0.0266	0.9025
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0613	0.1623
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0019	0.0058	0.0216
Schistosoma mansoni	ran	0.0021	0.0087	0.0063
Echinococcus granulosus	geminin	0.0357	0.4456	0.9315
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0058	0.0153
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.1314	0.3475
Schistosoma mansoni	hypothetical protein	0.0357	0.4456	0.9315
Brugia malayi	neuropeptide F receptor	0.0019	0.0058	0.0216
Brugia malayi	AKH receptor	0.0019	0.0058	0.0216
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0115	0.0107
Brugia malayi	Carboxylesterase family protein	0.0061	0.0613	0.229
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0019	0.0058	0.0153
Brugia malayi	Carboxylesterase family protein	0.0061	0.0613	0.229
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0087	0.003
Trichomonas vaginalis	glucosylceramidase, putative	0.022	0.2678	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0161	0.0427
Brugia malayi	hypothetical protein	0.0019	0.0058	0.0216
Schistosoma mansoni	hypothetical protein	0.0357	0.4456	0.9315
Brugia malayi	sulfakinin receptor protein	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	ORL1-like opioid receptor	0.0019	0.0058	0.0216
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0236	0.5
Brugia malayi	neuropeptide F receptor	0.0019	0.0058	0.0216
Loa Loa (eye worm)	carboxylesterase	0.0061	0.0613	0.1623
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Echinococcus multilocularis	bile acid beta glucosidase	0.0382	0.4779	0.4748
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0266	0.0441
Echinococcus multilocularis	geminin	0.0357	0.4456	0.4423
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0115	0.1407
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0641	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0019	0.0058	0.0216
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0285	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0388	0.1451
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0641	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0258	0.3165	0.8374
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0087	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0641	0.1235
Brugia malayi	Melatonin receptor type 1A	0.0019	0.0058	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Schistosoma mansoni	ran	0.0021	0.0087	0.0063
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0185	0.4959
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0388	0.07
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0185	1
Echinococcus multilocularis	acetylcholinesterase	0.0061	0.0613	0.0559
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0382	0.4779	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0285	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0185	0.4959
Echinococcus granulosus	acetylcholinesterase	0.0061	0.0613	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Entamoeba histolytica	hypothetical protein	0.0035	0.0266	0.9025
Trichomonas vaginalis	glucosylceramidase, putative	0.0145	0.1693	0.6198
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0058	0.0153
Brugia malayi	Serotonin receptor	0.0019	0.0058	0.0216

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 1 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 1.44 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 1.94 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 5.8 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 17 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 99 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 99 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 0.93	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 1 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 17 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.27	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.53727 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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.

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External resources for this compound

ChEMBL: CHEMBL548215
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Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 592935