TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 595.697 | Formula: C28H32F3N3O4S2
H donors: 3 H acceptors: 4 LogP: 3.14 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=S(=O)(c1ccc(s1)c1cccc(c1)CNC1Cc2c(C1)cccc2)NCCN1CCCC1.OC(=O)C(F)(F)F
InChi: 1S/C26H31N3O2S2.C2HF3O2/c30-33(31,28-12-15-29-13-3-4-14-29)26-11-10-25(32-26)23-9-5-6-20(16-23)19-27-24-17-21-7-1-2-8-22(21)18-24;3-2(4,5)1(6)7/h1-2,5-11,16,24,27-28H,3-4,12-15,17-19H2;(H,6,7)
InChiKey: KPPDHWUEYYIHSY-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
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0491	0.1657
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0148	0.046
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1242	1
Schistosoma mansoni	hypothetical protein	0.0036	0.074	0.074
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0033	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0148	0.1184
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0148	0.2229
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.0000000023351
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0215	0.361
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0049
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0148	0.1184
Schistosoma mansoni	DNA helicase recq1	0.001	0.0143	0.0143
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0288	0.0948
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0148	0.1184
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0036	0.0745	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0148	0.046
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.043	1	1
Trypanosoma cruzi	quiescin sulfhydryl oxidase, putative	0.0006	0.0033	0.0138
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0148	0.1184
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0143	0.0984
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0294	0.2226
Brugia malayi	steroid hormone receptor	0.0011	0.0148	0.1184
Echinococcus granulosus	geminin	0.0178	0.4083	0.4074
Schistosoma mansoni	nuclear receptor nhr-48	0.0005	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0148	0.1184
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.003	0.003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0148	0.046
Echinococcus multilocularis	dnaJ subfamily B	0.043	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0288	0.2441
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0143	0.0127
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0148	0.0132
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.003	0.0014
Toxoplasma gondii	Erv1 / Alr family protein	0.0036	0.0745	0.5927
Leishmania major	hypothetical protein, conserved	0.0036	0.0745	1
Schistosoma mansoni	zinc finger protein	0.0005	0.0016	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0148	0.1184
Schistosoma mansoni	DNA helicase recq5	0.001	0.0143	0.0143
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0148	0.0132
Schistosoma mansoni	quiescin q6-related sulfhydryl oxidase	0.0006	0.0033	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0148	0.046
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0000000023351
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0143	0.0127
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Brugia malayi	quiescin Q6	0.0006	0.0033	0.0152
Schistosoma mansoni	nuclear receptor	0.0005	0.0016	0.0016
Schistosoma mansoni	blooms syndrome DNA helicase	0.0005	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0049
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0143	0.1544
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0491	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1129	0.3884
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0023	0.0241
Treponema pallidum	ATP-dependent DNA helicase	0.0005	0.0023	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0036	0.0745	0.5927
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.074	0.6501
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0148	0.0148
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0148	0.0132
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0148	0.046
Schistosoma mansoni	cpg binding protein	0.0032	0.0648	0.0648
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0000000023351
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0049
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0288	0.0272
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0148	0.0132
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1129	1
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0036	0.0745	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0148	0.0132
Schistosoma mansoni	nuclear receptor	0.0005	0.0016	0.0016
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.003	0.0127
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0148	0.0148
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0118	0.0102
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.003	0.0049
Brugia malayi	Augmenter of liver regeneration	0.0036	0.0745	0.6552
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0000000023351
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0288	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Loa Loa (eye worm)	quiescin Q6	0.0006	0.0033	0.0059
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0148	0.0148
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0148	0.0132
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0148	0.1184
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0148	0.0132
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.003	0.0014
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0118	0.0102
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0148	0.0132
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0074	0.0074
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0148	0.0148
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0288	0.0272
Schistosoma mansoni	cpg binding protein	0.003	0.0608	0.0608
Echinococcus granulosus	sulfhydryl oxidase 1	0.0006	0.0033	0.0017
Schistosoma mansoni	cpg binding protein	0.0032	0.0648	0.0648
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0148	0.046
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0074	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0023	0.0024
Onchocerca volvulus	Sulfhydryl oxidase homolog	0.0006	0.0033	0.0286
Echinococcus multilocularis	geminin	0.0178	0.4083	0.4074
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0005	0.0016	0.0016
Trypanosoma cruzi	quiescin sulfhydryl oxidase, putative	0.0006	0.0033	0.0138
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0148	0.0132
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1129	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0148	0.1184
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0491	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0148	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0143	0.0443
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0148	0.1184
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0148	0.0148
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0419	0.542
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0074	0.0059
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0148	0.1184
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0491	0.4267
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0016	0.0016
Schistosoma mansoni	hypothetical protein	0.0178	0.4083	0.4083
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0143	0.1141
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0005	0.0016	0.0016
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0148	0.2229
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0000000023351
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0036	0.0745	0.0731
Brugia malayi	Erv1 / Alr family protein	0.0006	0.0033	0.0152
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0148	0.0132
Brugia malayi	nuclear hormone receptor	0.0011	0.0148	0.1184
Echinococcus multilocularis	cpg binding protein	0.0032	0.0648	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0127	0.2883	1
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0491	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0148	0.0148
Echinococcus granulosus	GPCR family 2	0.0017	0.0288	0.0272
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0036	0.0745	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0148	0.1184
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0215	0.2555
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0148	0.2229
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0036	0.0745	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0148	0.0132
Onchocerca volvulus	Sulfhydryl oxidase homolog	0.0006	0.0033	0.0286
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0288	0.0272
Echinococcus multilocularis	sulfhydryl oxidase 1	0.0006	0.0033	0.0017
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0148	0.0132
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0143	0.0984
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.003	0.003
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0143	0.0127
Onchocerca volvulus		0.003	0.0608	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0074	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0148	0.1184
Loa Loa (eye worm)	hepatopoietin HPO2	0.0036	0.0745	0.2545
Plasmodium vivax	hypothetical protein, conserved	0.0006	0.0033	0.0202
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1129	0.3884
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0143	0.1141
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0608	0.2064
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0000000023351
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0148	0.046
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0148	0.1184
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0288	0.0272
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0215	0.2657
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0143	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0288	0.0288
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0366	0.0366
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.0000000023351
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0148	0.0132
Brugia malayi	nuclear receptor RXR	0.0006	0.003	0.0127
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.0000000023351
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0148	0.046
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0148	0.0132
Schistosoma mansoni	hypothetical protein	0.0178	0.4083	0.4083
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0074	0.0059
Toxoplasma gondii	Erv1 / Alr family protein	0.0006	0.0033	0.0082
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0115	0.0888
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.1403	0.1403
Brugia malayi	hypothetical protein	0.0006	0.003	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0033	0.0059
Loa Loa (eye worm)	Erv1/Alr family protein	0.0006	0.0033	0.0059
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0148	0.0132
Brugia malayi	CXXC zinc finger family protein	0.003	0.0608	0.5313
Brugia malayi	ecdysteroid receptor	0.0011	0.0148	0.1184
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0036	0.0745	1
Onchocerca volvulus	Sulfhydryl oxidase homolog	0.0006	0.0033	0.0286
Echinococcus granulosus	cpg binding protein	0.0032	0.0648	0.0633
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0148	0.0132
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0143	0.0127
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0017	0.0299	0.3862
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0148	0.1184
Loa Loa (eye worm)	hypothetical protein	0.001	0.0143	0.0443
Brugia malayi	hypothetical protein	0.0006	0.003	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0036	0.074	0.2525
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0148	0.1184
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0148	0.1184
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0491	0.0476
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0288	0.0272
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0148	0.0132
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0148	0.0132
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0118	0.0355
Onchocerca volvulus		0.0011	0.0148	0.2229
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0148	0.0148
Schistosoma mansoni	coup transcription factor	0.0011	0.0148	0.0148
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0036	0.0745	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Loa Loa (eye worm)	hypothetical protein	0.0006	0.003	0.0049
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0036	0.0745	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0215	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0148	0.046
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.003	0.0127
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0288	0.2441

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)	= 5.84 %	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)	= 13.58 %	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)	= 13.91 %	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)	= 57 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 69 %	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)	= 98 %	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)	= 7.02	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)	= 57 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 69 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 98 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.13	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.74622 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: CHEMBL530947
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 596693