TDR Targets

Basic information

Technical information

TDR Targets ID: 1427174
Name: 4,4,4-trifluoro-3-hydroxy-N-(2-methylphenyl)- 3-(trifluoromethyl)butanamide
MW: 315.212 | Formula: C12H11F6NO2
H donors: 2 H acceptors: 2 LogP: 3.37 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CC(C(F)(F)F)(C(F)(F)F)O)Nc1ccccc1C
InChi: 1S/C12H11F6NO2/c1-7-4-2-3-5-8(7)19-9(20)6-10(21,11(13,14)15)12(16,17)18/h2-5,21H,6H2,1H3,(H,19,20)
InChiKey: COLCVOUAUDMNSS-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

4,4,4-trifluoro-3-hydroxy-N-(2-methylphenyl)-3-(trifluoromethyl)butyramide
ZINC00215750
EU-0050188
MLS000537018
SMR000143655

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
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
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	tar DNA 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
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0345	0.3084	1
Echinococcus multilocularis	GPCR, family 2	0.0345	0.3084	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0265	0.0265
Brugia malayi	DIX domain containing protein	0.0018	0.0047	0.0047
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0065	0.0482	0.2776
Leishmania major	hypothetical protein, conserved	0.0178	0.153	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0047
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0148	0.1261	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0047	0.0152
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0287	0.2274
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0287	0.0422
Mycobacterium ulcerans	lipase LipD	0.0043	0.0287	0.1757
Schistosoma mansoni	z-protein (S1r protein)	0.0018	0.0047	0.0069
Schistosoma mansoni	hypothetical protein	0.0345	0.3084	0.4536
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0065	0.0482	0.157
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0287	0.0287
Loa Loa (eye worm)	MH1 domain-containing protein	0.0074	0.0573	0.0573
Echinococcus granulosus	GPCR family 2	0.0345	0.3084	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0745	0.6799	0.6799
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.008	0.0622	0.2017
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.0079	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0047
Brugia malayi	TAR-binding protein	0.0124	0.1032	0.1032
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0124	0.1032	0.1032
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.246	1
Loa Loa (eye worm)	hypothetical protein	0.0745	0.6799	0.6799
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0345	0.3084	1
Mycobacterium ulcerans	hypothetical protein	0.0148	0.1261	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0287	0.1757
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0287	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1281	0.1281
Schistosoma mansoni	smad1 5 8 and	0.0074	0.0573	0.0842
Brugia malayi	hypothetical protein	0.0018	0.0047	0.0047
Brugia malayi	hypothetical protein	0.0018	0.0047	0.0047
Loa Loa (eye worm)	transcription factor SMAD2	0.1091	1	1
Echinococcus granulosus	tar DNA binding protein	0.0124	0.1032	0.3346
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0047	0.0047
Trichomonas vaginalis	esterase, putative	0.0043	0.0287	0.2274
Brugia malayi	MH2 domain containing protein	0.0033	0.0191	0.0191
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0065	0.0482	0.1563
Schistosoma mansoni	hypothetical protein	0.0345	0.3084	0.4536
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0287	0.0872
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0047	0.0047
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0021	0.0079	0.0217
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0287	0.0872
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.1032	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0178	0.153	0.153
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0074	0.0573	0.1857
Brugia malayi	MH1 domain containing protein	0.0074	0.0573	0.0573
Brugia malayi	Latrophilin receptor protein 2	0.0345	0.3084	0.3084
Loa Loa (eye worm)	DIX domain-containing protein	0.0018	0.0047	0.0047
Loa Loa (eye worm)	nuclear factor I	0.0041	0.0265	0.0265
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0065	0.0482	0.1563
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0018	0.0047	0.0152
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0074	0.0573	0.1857
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0287	0.0872
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0287	0.2274
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0065	0.0482	0.1563
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0047	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0287	0.0287
Schistosoma mansoni	smad	0.0033	0.0191	0.0282
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0033	0.0191	0.0621
Loa Loa (eye worm)	Smad1	0.0074	0.0573	0.0573
Loa Loa (eye worm)	RNA binding protein	0.0124	0.1032	0.1032
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0287	0.1757
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0065	0.0482	0.0709
Entamoeba histolytica	hypothetical protein	0.0329	0.2934	0.9673
Schistosoma mansoni	Smad4	0.0074	0.0573	0.0842
Echinococcus multilocularis	smad	0.0074	0.0573	0.1857
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0287	0.1757
Onchocerca volvulus		0.0043	0.0287	0.0894
Trypanosoma cruzi	PAB1-binding protein , putative	0.0178	0.153	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0191	0.0191
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0148	0.1261	1
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0148	0.1261	0.4962
Onchocerca volvulus		0.0018	0.0047	0.0146
Echinococcus granulosus	mothers against decapentaplegic 5	0.0074	0.0573	0.1857
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0065	0.0482	0.0482
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0287	0.143
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.1032	0.1518
Plasmodium falciparum	ataxin-2 like protein, putative	0.0178	0.153	1
Brugia malayi	Smad1	0.0074	0.0573	0.0573
Echinococcus multilocularis	tar DNA binding protein	0.0124	0.1032	0.3346
Plasmodium falciparum	ataxin-2 like protein, putative	0.0178	0.153	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.008	0.0622	0.2017
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0074	0.0573	0.0842
Brugia malayi	MH2 domain containing protein	0.0074	0.0573	0.0573
Echinococcus granulosus	smad	0.0074	0.0573	0.1857
Trypanosoma cruzi	PAB1-binding protein , putative	0.0178	0.153	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.109	1	1
Brugia malayi	N-terminal motif family protein	0.0358	0.3208	0.3208
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0018	0.0047	0.0047
Onchocerca volvulus		0.0151	0.1281	0.3995
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0047	0.0152
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0329	0.2934	0.9513
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0287	0.2274
Toxoplasma gondii	ABC1 family protein	0.0043	0.0287	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0287	0.0287
Schistosoma mansoni	hypothetical protein	0.0745	0.6799	1
Brugia malayi	MH1 domain containing protein	0.0074	0.0573	0.0573
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0021	0.0079	0.0079
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0287	0.0872
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0021	0.0079	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0047	0.0152
Echinococcus multilocularis	Smad4	0.0074	0.0573	0.1857
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0047	0.0152
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0018	0.0047	0.0152
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0065	0.0482	0.157
Brugia malayi	hypothetical protein	0.0178	0.153	0.153
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0287	0.1873
Schistosoma mansoni	regulator of G protein signaling	0.0018	0.0047	0.0069
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0358	0.3208	1
Onchocerca volvulus		0.0043	0.0287	0.0894
Entamoeba histolytica	hypothetical protein	0.0329	0.2934	0.9673
Schistosoma mansoni	transcription factor LCR-F1	0.0329	0.2934	0.4315
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0345	0.3084	0.3084
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.109	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0287	0.0872
Brugia malayi	beta-lactamase	0.0043	0.0287	0.0287
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0287	0.0287
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0287	0.1757
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0329	0.2934	0.9513
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0074	0.0573	0.1857
Schistosoma mansoni	smad	0.0074	0.0573	0.0842
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.1032	0.1518
Brugia malayi	RNA binding protein	0.0124	0.1032	0.1032
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0287	0.1873
Brugia malayi	MH1 domain containing protein	0.0041	0.0265	0.0265
Echinococcus granulosus	mothers against decapentaplegic 6	0.0033	0.0191	0.0621
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0345	0.3084	0.3084
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0191	0.0191
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0287	0.0422
Trypanosoma brucei	PAB1-binding protein , putative	0.0178	0.153	1
Echinococcus granulosus	ornithine aminotransferase	0.0021	0.0079	0.0257
Brugia malayi	mothers against decapentaplegic homolog 3	0.0033	0.0191	0.0191
Brugia malayi	beta-lactamase family protein	0.0043	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.109	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0124	0.1032	0.1032
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0033	0.0191	0.0597
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0287	0.2274
Brugia malayi	RNA recognition motif domain containing protein	0.0124	0.1032	0.1032
Schistosoma mansoni	Smad4	0.0033	0.0191	0.0282
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0148	0.1261	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0065	0.0482	0.2776
Schistosoma mansoni	smad1 5 8 and	0.0074	0.0573	0.0842
Loa Loa (eye worm)	hypothetical protein	0.0358	0.3208	0.3208
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.034	0.3033	1
Schistosoma mansoni	dishevelled	0.0018	0.0047	0.0069
Schistosoma mansoni	hypothetical protein	0.008	0.0622	0.0915
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0287	0.0287
Echinococcus multilocularis	isocitrate dehydrogenase	0.0065	0.0482	0.1563
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0345	0.3084	1
Schistosoma mansoni	dep domain containing protein	0.0018	0.0047	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0345	0.3084	0.3084
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0287	0.2274
Schistosoma mansoni	dishevelled	0.0018	0.0047	0.0069
Mycobacterium tuberculosis	Probable aminotransferase	0.0148	0.1261	0.4962
Brugia malayi	regulator of G-protein signaling egl-10	0.0018	0.0047	0.0047
Brugia malayi	hypothetical protein	0.0151	0.1281	0.1281
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0287	0.093
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0047	0.0152
Brugia malayi	Calcitonin receptor-like protein seb-1	0.109	1	1
Echinococcus granulosus	Smad4	0.0074	0.0573	0.1857
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0097	0.078	0.257
Echinococcus granulosus	Aminotransferase class III	0.0021	0.0079	0.0257
Schistosoma mansoni	hypothetical protein	0.0345	0.3084	0.4536
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0287	0.0872
Brugia malayi	MH1 domain containing protein	0.0041	0.0265	0.0265
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0065	0.0482	0.315
Schistosoma mansoni	smad1 5 8 and	0.0074	0.0573	0.0842
Brugia malayi	MH2 domain containing protein	0.0074	0.0573	0.0573
Entamoeba histolytica	hypothetical protein	0.0329	0.2934	0.9673
Echinococcus multilocularis	Aminotransferase class III	0.0021	0.0079	0.0257
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.0079	0.0257
Brugia malayi	beta-lactamase family protein	0.0043	0.0287	0.0287
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0287	0.093
Schistosoma mansoni	hypothetical protein	0.0345	0.3084	0.4536
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0018	0.0047	0.0069
Toxoplasma gondii	LsmAD domain-containing protein	0.0178	0.153	1
Echinococcus granulosus	mothers against decapentaplegic 2	0.0033	0.0191	0.0621
Schistosoma mansoni	hypothetical protein	0.0329	0.2934	0.4315
Onchocerca volvulus		0.0043	0.0287	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0287	0.0287
Toxoplasma gondii	isocitrate dehydrogenase	0.0065	0.0482	0.2933
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0287	0.0872
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0047	0.0152
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0065	0.0482	0.157
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0287	0.0872
Brugia malayi	isocitrate dehydrogenase	0.0065	0.0482	0.0482
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0287	0.1757
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0021	0.0079	0.0116
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0065	0.0482	0.1563
Plasmodium vivax	ataxin-2 like protein, putative	0.0178	0.153	1
Brugia malayi	hypothetical protein	0.0329	0.2934	0.2934
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0345	0.3084	1
Brugia malayi	Isocitrate dehydrogenase	0.0065	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0287	0.0287
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0018	0.0047	0.0146
Loa Loa (eye worm)	MH2 domain-containing protein	0.1091	1	1
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0021	0.0079	0.5
Giardia lamblia	DNA repair protein RAD52	0.034	0.3033	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0191	0.0191
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0065	0.0482	0.315
Loa Loa (eye worm)	MH2 domain-containing protein	0.0074	0.0573	0.0573
Brugia malayi	hypothetical protein	0.0115	0.0947	0.0947
Schistosoma mansoni	Smad4	0.0033	0.0191	0.0282
Entamoeba histolytica	hypothetical protein	0.0329	0.2934	0.9673
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0065	0.0482	0.1563
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0287	0.0872
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0033	0.0191	0.0621
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0065	0.0482	0.1692
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0047	0.0152
Toxoplasma gondii	isocitrate dehydrogenase	0.0065	0.0482	0.2933
Entamoeba histolytica	hypothetical protein	0.0097	0.078	0.257
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.1032	0.1518
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.1032	0.1518
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0047	0.0047
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0287	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0287	0.0287
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0287	0.0287

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.631 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (binding)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	100 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

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: CHEMBL1560971

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1427174