TDR Targets

Basic information

Technical information

TDR Targets ID: 598411
Name: 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-pyridi n-2-yl-1,3-thiazol-2-yl)benzamide
MW: 462.544 | Formula: C23H18N4O3S2
H donors: 1 H acceptors: 5 LogP: 3.49 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2)Nc1scc(n1)c1ccccn1
InChi: 1S/C23H18N4O3S2/c28-22(26-23-25-20(15-31-23)19-6-3-4-13-24-19)17-8-10-18(11-9-17)32(29,30)27-14-12-16-5-1-2-7-21(16)27/h1-11,13,15H,12,14H2,(H,25,26,28)
InChiKey: ZUBCUNQBCABCOE-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

4-indolin-1-ylsulfonyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
4-(1-indolinylsulfonyl)-N-[4-(2-pyridyl)-2-thiazolyl]benzamide
Oprea1_824031

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
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.2556	0.2556
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.2203	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.074	0.2374
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.2556	0.2556
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.2556	0.8206
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.2556	0.8206
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.2556	0.8206
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.074	0.074
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0522	0.0522
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.001	0.0522	0.1675
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.001	0.0522	0.1675
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.2203	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.2556	0.2556
Onchocerca volvulus	Bile acid receptor homolog	0.0022	0.2556	0.8206
Brugia malayi	hypothetical protein	0.0012	0.074	0.2374
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.182	0.182
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.2203	0.7073
Brugia malayi	Nuclear hormone receptor E75	0.001	0.0522	0.1675
Onchocerca volvulus		0.001	0.0522	0.1675
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.2556	0.8206
Onchocerca volvulus		0.0022	0.2556	0.8206
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.3115	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.074	0.2374
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.2203	0.5
Brugia malayi	hypothetical protein	0.0012	0.074	0.2374
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.2556	0.8206
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.2556	0.2556
Brugia malayi	tailless protein	0.001	0.0522	0.1675
Echinococcus multilocularis	nuclear receptor nhr 48	0.001	0.0522	0.0522
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Brugia malayi	nuclear receptor RXR	0.0012	0.074	0.2374
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.2556	0.8206
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Brugia malayi	nuclear hormone receptor	0.0022	0.2556	0.8206
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Schistosoma mansoni	coup transcription factor	0.0022	0.2556	0.2556
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.2556	0.8206
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.2556	0.8206
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.2556	0.2556
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.3115	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.2203	1
Brugia malayi	steroid hormone receptor	0.0022	0.2556	0.8206
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.2203	0.2203
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.3115	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.074	0.2374
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.2	0.9078
Brugia malayi	nuclear hormone receptor family member odr-7	0.001	0.0522	0.1675
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.3115	0.3115
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.001	0.0522	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.2556	0.2556
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.2556	0.2556
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.2556	0.8206
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.001	0.0522	0.0522
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.001	0.0522	0.1675
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.3115	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.3115	0.3115
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.2556	0.8206
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0012	0.074	0.074
Loa Loa (eye worm)	nuclear receptor NHR-67	0.001	0.0522	0.1675
Schistosoma mansoni	ap endonuclease	0.002	0.2203	0.2203
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.2556	0.2556
Loa Loa (eye worm)	DR-78	0.001	0.0522	0.1675
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.074	0.2374
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0012	0.074	0.074
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.2556	0.2556
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.2556	0.2556
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.182	0.182
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0522	0.0522
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.3115	0.3115
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.2556	0.8206
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.3115	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0522	0.0522
Brugia malayi	nuclear receptor NHR-67	0.001	0.0522	0.1675
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.2556	0.8206
Brugia malayi	ecdysteroid receptor	0.0022	0.2556	0.8206
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.2556	0.2556
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3115	1
Brugia malayi	orphan nuclear receptor NR2E1	0.001	0.0522	0.1675
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.2556	0.2556
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	1	1
Brugia malayi	hypothetical protein	0.001	0.0522	0.1675
Loa Loa (eye worm)	hypothetical protein	0.0012	0.074	0.2374
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.2556	0.8206
Brugia malayi	hypothetical protein	0.001	0.0522	0.1675
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2	0.6421
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.2203	0.2203
Brugia malayi	ecdysone receptor	0.001	0.0522	0.1675
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.2556	0.2556
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.2203	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.2203	0.7073
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.182	0.182
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.2203	1
Toxoplasma gondii	exonuclease III APE	0.002	0.2203	0.2203
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	1	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.0522	0.1675
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.2556	0.2556
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.3115	0.3115
Schistosoma mansoni	nuclear receptor nhr-48	0.001	0.0522	0.0522
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.2556	0.8206
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.2	0.9078
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.001	0.0522	0.0522
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.3115	0.3115
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.2203	0.7073
Schistosoma mansoni	ap endonuclease	0.002	0.2203	0.2203
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.3115	0.3115
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.2203	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.074	0.2374
Schistosoma mansoni	nuclear receptor	0.001	0.0522	0.0522
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.2203	0.2203
Brugia malayi	nuclear receptor RXR	0.001	0.0522	0.1675
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.2	0.2
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2	0.6421
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.2	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.2556	0.8206
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.2556	0.2556
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.2556	0.8206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.2556	0.8206
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.3115	0.3115
Brugia malayi	Nuclear hormone receptor E75	0.001	0.0522	0.1675
Schistosoma mansoni	zinc finger protein	0.001	0.0522	0.0522
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.2556	0.8206
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.2203	1
Schistosoma mansoni	nuclear receptor	0.001	0.0522	0.0522
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.3115	0.3115
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.001	0.0522	0.1675
Echinococcus granulosus	Nuclear hormone receptor HR96	0.001	0.0522	0.0522
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.3115	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.001	0.0522	0.0522
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.001	0.0522	0.0522
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.2556	0.2556
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.2556	0.2556
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.2556	0.8206
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.2	0.2
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.001	0.0522	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.001	0.0522	0.0522
Onchocerca volvulus		0.0011	0.0702	0.2255
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.2556	0.8206
Brugia malayi	nuclear hormone receptor family member nhr-6	0.001	0.0522	0.1675
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.2203	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.2203	0.2203
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.3115	0.3115
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0522	0.0522
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.3115	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.2556	0.2556
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.3115	0.3115
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.2556	0.2556
Brugia malayi	nuclear receptor NHR-88	0.0022	0.2556	0.8206
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.2556	0.2556
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2	0.6421
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.2556	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0012	0.074	0.2374
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.2203	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2	0.6421
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2	0.6421
Onchocerca volvulus		0.0025	0.3115	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.2556	0.8206
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.2203	0.2203
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.2556	0.8206
Onchocerca volvulus		0.001	0.0522	0.1675
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Brugia malayi	conserved hypotetical protein	0.001	0.0522	0.1675
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0012	0.074	0.2374
Echinococcus granulosus	Nuclear hormone receptor HR96	0.001	0.0522	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3115	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.3115	0.3115
Echinococcus granulosus	nuclear receptor nhr 48	0.001	0.0522	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0025	0.3115	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.3115	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.3115	0.3115
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.2556	0.8206
Loa Loa (eye worm)	nuclear hormone receptor	0.001	0.0522	0.1675
Echinococcus granulosus	thyroid hormone receptor alpha	0.001	0.0522	0.0522
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.2556	0.8206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0012	0.074	0.074
Mycobacterium ulcerans	hypothetical protein	0.0025	0.3115	0.3115
Loa Loa (eye worm)	hypothetical protein	0.0022	0.2556	0.8206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0522	0.1675
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.2556	0.2556
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.182	0.182
Brugia malayi	nuclear hormone receptor	0.001	0.0522	0.1675
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.2556	0.8206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.2556	0.8206
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 2 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 2.63 %	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)	= 9.61 %	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)	= 15 %	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 (functional)	= 15.11 %	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)	= 47 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 89 %	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 frequency index (IFI) (functional)	= 4.65	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 2 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 15 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 47 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 89 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.08	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.82987 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.

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: CHEMBL588650
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Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 598411