TDR Targets

Basic information

Technical information

TDR Targets ID: 675138
Name: 3-(4-chloro-2-methylphenyl)-1-[(4-fluoropheny l)methyl]thiourea
MW: 308.801 | Formula: C15H14ClFN2S
H donors: 1 H acceptors: 0 LogP: 4.55 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: SC(=Nc1ccc(cc1C)Cl)NCc1ccc(cc1)F
InChi: 1S/C15H14ClFN2S/c1-10-8-12(16)4-7-14(10)19-15(20)18-9-11-2-5-13(17)6-3-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChiKey: GTJHWAZGBZAGJZ-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

3-(4-chloro-2-methyl-phenyl)-1-[(4-fluorophenyl)methyl]thiourea
3-(4-chloro-2-methyl-phenyl)-1-(4-fluorobenzyl)thiourea
STK143288
MLS001181242
SMR000502376
ZINC00306929

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0056	0.0346
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0007	0.0007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0007	0.0007
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0007	0.0007
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.011	0.5527
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0031
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0007	0.0007
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0056	0.0346
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0007	0.0007
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.1463	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0036	0.0036
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0056	0.0346
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.011	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0031	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0273	0.0273
Echinococcus granulosus	geminin	0.0171	0.0661	0.0661
Schistosoma mansoni	hypothetical protein	0.0019	0.0036	0.0036
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.1463	0.4686
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0036	0.0036
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0007	0.0007
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0007	0.0007
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.1463	0.4686
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0007	0.0007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0007	0.0007
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0273	0.0273
Schistosoma mansoni	hypothetical protein	0.0019	0.0036	0.0036
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0007	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0056	0.0056
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0007	0.0007
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0031	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0273	0.0273
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0007	0.0007
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0007	0.0007
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0041	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0171	0.0661	0.0661
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0056	0.0346
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0007	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0031
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.1463	1
Brugia malayi	steroid hormone receptor	0.0012	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0007	0.0007
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0031
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0056	0.0346
Brugia malayi	nuclear hormone receptor	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0056	0.0056
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0273	0.0273
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0007	0.0007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0056	0.0346
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0273	0.0273
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0031
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0007	0.0007
Toxoplasma gondii	hypothetical protein	0.0059	0.02	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0094	0.0937
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0019	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1184	0.1186
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0736	0.2996	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0036	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0007	0.0007
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0007	0.0007
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0169	0.0431
Echinococcus multilocularis	muscleblind protein	0.0297	0.1184	0.1184
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0007	0.0007
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0169	0.0202
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0007	0.1332
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0031	0.0056
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0171	0.0661	0.0661
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0127	0.0127
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0007	0.0007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0056	0.0346
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0094	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0007	0.0007
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0031	0.0031
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0056	0.04
Echinococcus granulosus	GPCR family 2	0.0019	0.0036	0.0036
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0273	0.0273
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0215	0.0362
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0036	0.0036
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0056	0.0346
Onchocerca volvulus		0.0012	0.0007	0.1332
Schistosoma mansoni	coup transcription factor	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0273	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0056	0.0056
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0031	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Brugia malayi	TAR-binding protein	0.0076	0.0273	0.0273
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.011	0.011
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0056	0.04
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0007	0.0007
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0007	0.0007
Brugia malayi	ecdysteroid receptor	0.0012	0.0007	0.0007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0007	0.0007
Loa Loa (eye worm)	inositol-1	0.0037	0.011	0.0111
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.011	0.111
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.011	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.011	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0007	0.0007
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.4	0.4
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0007	0.0007
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0007	0.0007
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0007	0.0007
Schistosoma mansoni	inositol monophosphatase	0.0037	0.011	0.011
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.2433	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0007	0.0007
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.011	1
Brugia malayi	RNA binding protein	0.0076	0.0273	0.0273
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.075	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0273	0.0273
Mycobacterium ulcerans	hypothetical protein	0.0192	0.075	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0007	0.0007
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.011	0.0391
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0206	0.0206
Brugia malayi	Inositol-1	0.0037	0.011	0.011
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.067	0.1938
Echinococcus multilocularis	muscleblind protein 1	0.0297	0.1184	0.1184
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0007	0.0007
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.006	0.0206	0.0206
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0733	0.2981	0.2986
Echinococcus multilocularis	geminin	0.0171	0.0661	0.0661
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0007	0.0007
Echinococcus granulosus	muscleblind protein	0.0297	0.1184	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1184	0.1186
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0036	0.0036
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0007	0.0007
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0056	0.0056
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0169	0.0202
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0007	0.0007
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0007	0.0007
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0007	0.0007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0007	0.0007
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0169	0.0202
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.067	0.4364
Schistosoma mansoni	hypothetical protein	0.0019	0.0036	0.0036
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0007	0.0007
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0736	0.2996	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0036	0.0036
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0007	0.0007
Brugia malayi	Muscleblind-like protein	0.0297	0.1184	0.1184
Schistosoma mansoni	protein kinase	0.2433	1	1
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0736	0.2996	0.3
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.011	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.2433	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0007	0.0007
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0007	0.0007
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0007	0.0007
Schistosoma mansoni	inositol monophosphatase	0.0037	0.011	0.011
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0056	0.0056
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0273	0.0273
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0007	0.0007
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0036	0.0036
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.067	0.4135
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0273	0.0273
Schistosoma mansoni	protein kinase	0.2433	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0206	0.0206
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.2429	0.9985	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0273	0.0273
Onchocerca volvulus		0.0024	0.0056	1
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0036	0.0036

Activities

Activity type	Activity value	Assay description	Source	Reference
AbsAC40 (functional)	= 2.25 uM	PubChem BioAssay. HTS for the detection of C. neoformans cell lysis via adenylate kinase (AK) release Measured in Microorganism System Using Plate Reader - 2162-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
AC50 (functional)	> 70 uM	PubChem BioAssay. C. neoformans: Cell lysis Measured in Microorganism System Using Plate Reader - 2162-03_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1569771
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 675138