TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 521.425 | Formula: C19H19F8N3O3S
H donors: 2 H acceptors: 3 LogP: 5.52 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: CCC[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)NC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChi: 1S/C19H19F8N3O3S/c1-3-4-12(30-16(32)33-8-17(21,22)18(23,24)19(25,26)27)14(31)28-9(2)15-29-11-6-5-10(20)7-13(11)34-15/h5-7,9,12H,3-4,8H2,1-2H3,(H,28,31)(H,30,32)/t9-,12+/m1/s1
InChiKey: PYFYZUSHLLMSAX-SKDRFNHKSA-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
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0108	0.0108
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.0421	0.0919
Brugia malayi	exodeoxyribonuclease III family protein	0.0041	0.0125	0.0411
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0108	0.0335
Entamoeba histolytica	hypothetical protein	0.0074	0.028	0.3198
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Onchocerca volvulus		0.0537	0.2485	1
Schistosoma mansoni	cpg binding protein	0.007	0.0261	0.0552
Toxoplasma gondii	exonuclease III APE	0.0041	0.0125	0.0016
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Trypanosoma brucei	pteridine reductase 1	0.0143	0.0611	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0069	0.0257	0.0544
Schistosoma mansoni	hypothetical protein	0.0036	0.0099	0.0183
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.0421	0.1798
Plasmodium vivax	SET domain protein, putative	0.0069	0.0257	0.015
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0108	0.0329
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Schistosoma mansoni	cpg binding protein	0.007	0.0261	0.0552
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0269	0.0571
Toxoplasma gondii	LsmAD domain-containing protein	0.0054	0.0186	0.0078
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0041	0.0125	0.0016
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0143	0.0611	0.2681
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0142	0.0606	0.1342
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.0421	0.0919
Leishmania major	hypothetical protein, conserved	0.0054	0.0186	0.1538
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0127	0.0535	0.0432
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0069	0.0257	0.0286
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0069	0.0257	0.0544
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0108	0.0108
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0143	0.0611	0.0508
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0143	0.0611	0.0493
Onchocerca volvulus		0.0143	0.0611	0.2115
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0108	0.0329
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Echinococcus granulosus	GPCR family 2	0.0036	0.0099	0.0183
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0066	0.0243	0.0958
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0099	0.0285
Schistosoma mansoni	hypothetical protein	0.0024	0.0044	0.0058
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0069	0.0257	0.0544
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.0421	0.0919
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0143	0.0611	0.1352
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0041	0.0125	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0023	0.0038	0.0044
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0069	0.0257	0.0286
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0472	0.2176	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0108	0.0329
Onchocerca volvulus		0.0108	0.0443	0.141
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.0421	0.1793
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0099	0.029
Plasmodium falciparum	enoyl-acyl carrier reductase	0.2115	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0041	0.0125	0.0324
Loa Loa (eye worm)	oxidoreductase	0.0143	0.0611	0.2681
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.0465	0.2
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0108	0.0204
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0269	0.0571
Echinococcus granulosus	tumor protein p63	0.0738	0.3444	0.782
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.0125	0.0125
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.028	0.0313
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0143	0.0611	0.2685
Schistosoma mansoni	hypothetical protein	0.0036	0.0099	0.0183
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0143	0.0611	0.0508
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0186	0.1538
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0069	0.0257	0.0544
Mycobacterium ulcerans	oxidoreductase	0.0143	0.0611	0.0508
Schistosoma mansoni	cpg binding protein	0.0066	0.0243	0.0512
Loa Loa (eye worm)	RNA binding protein	0.0071	0.0269	0.108
Schistosoma mansoni	hypothetical protein	0.0077	0.0296	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0257	0.1025
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0143	0.0611	0.2681
Echinococcus granulosus	tar DNA binding protein	0.0071	0.0269	0.0571
Echinococcus multilocularis	dnaJ subfamily B	0.0939	0.4398	0.5248
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.0421	0.0919
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0238	0.0502
Brugia malayi	hypothetical protein	0.0074	0.028	0.1138
Entamoeba histolytica	hypothetical protein	0.0074	0.028	0.3198
Brugia malayi	beta-lactamase	0.0038	0.0108	0.0335
Brugia malayi	beta-lactamase family protein	0.0038	0.0108	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0108	0.0329
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.0125	0.0125
Schistosoma mansoni	ap endonuclease	0.0041	0.0125	0.0242
Echinococcus granulosus	histone lysine methyltransferase setb	0.0069	0.0257	0.0544
Trypanosoma brucei	oxidoreductase-like protein	0.0143	0.0611	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0143	0.0611	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0041	0.0125	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0296	0.1206
Onchocerca volvulus		0.0069	0.0257	0.0626
Trichomonas vaginalis	esterase, putative	0.0038	0.0108	0.0108
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0099	0.0183
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0143	0.0611	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0041	0.0125	0.0242
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0143	0.0611	0.0508
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0108	0.0107
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0143	0.0611	0.0493
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.0465	0.2005
Echinococcus granulosus	dnaJ subfamily B	0.0939	0.4398	1
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0465	0.2
Echinococcus multilocularis	tumor protein p63	0.0738	0.3444	0.4104
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0143	0.0611	0.0508
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.0269	0.108
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0443	0.1897
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.0296	0.1211
Schistosoma mansoni	hypothetical protein	0.0036	0.0099	0.0183
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0041	0.0125	0.0324
Trichomonas vaginalis	set domain proteins, putative	0.0537	0.2485	0.2485
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0024	0.0044	0.0058
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0269	0.0571
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.028	0.0597
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1772	0.8364	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.0421	0.0919
Schistosoma mansoni	hypothetical protein	0.0036	0.0099	0.0183
Entamoeba histolytica	hypothetical protein	0.0074	0.028	0.3198
Brugia malayi	CXXC zinc finger family protein	0.0066	0.0243	0.0964
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.2115	1	1
Trichomonas vaginalis	hypothetical protein	0.2115	1	1
Schistosoma mansoni	ap endonuclease	0.0041	0.0125	0.0242
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.2115	1	1
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0099	0.0096
Leishmania major	oxidoreductase-like protein	0.0143	0.0611	1
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.2115	1	1
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0143	0.0611	0.0508
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0143	0.0611	0.071
Schistosoma mansoni	dihydropteridine reductase	0.0143	0.0611	0.1352
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0143	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0186	0.0691
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0143	0.0611	0.0508
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0041	0.0125	0.0324
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0143	0.0611	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0108	0.0204
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.0421	0.0482
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0143	0.0611	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.2115	1	1
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0143	0.0611	1
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0143	0.0611	0.1352
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0143	0.0611	1
Brugia malayi	Pre-SET motif family protein	0.0472	0.2176	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0041	0.0125	0.0016
Echinococcus multilocularis	cpg binding protein	0.007	0.0261	0.029
Brugia malayi	beta-lactamase family protein	0.0038	0.0108	0.0335
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Schistosoma mansoni	hypothetical protein	0.0939	0.4398	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0143	0.0611	0.0508
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.0269	0.108
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Trypanosoma brucei	PAB1-binding protein , putative	0.0054	0.0186	0.1538
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.028	0.0597
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0041	0.0125	0.0324
Brugia malayi	TAR-binding protein	0.0071	0.0269	0.1085
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0108	0.0108
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0099	0.0285
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0099	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0108	0.0329
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.0465	0.2005
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0108	0.0329
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0108	0.0108
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0099	0.0096
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0143	0.0611	0.0508
Brugia malayi	hypothetical protein	0.0054	0.0186	0.0696
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0186	0.0062
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0143	0.0611	0.0508
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0108	0.0204
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0143	0.0611	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0143	0.0611	0.0508
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0099	0.029
Onchocerca volvulus		0.0143	0.0611	0.2115
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.0269	0.1085
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0143	0.0611	0.0508
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0186	0.0062
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0069	0.0257	0.015
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0041	0.0125	0.5
Echinococcus granulosus	cpg binding protein	0.007	0.0261	0.0552
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0269	0.0571
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.2115	1	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0024	0.0044	0.003
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0611	0.2681
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0143	0.0611	0.0508
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0143	0.0611	0.0508
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0143	0.0611	0.0508
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0143	0.0611	0.0508
Brugia malayi	Pre-SET motif family protein	0.0069	0.0257	0.1031
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0099	0.0096
Leishmania major	pteridine reductase 1	0.0143	0.0611	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0054	0.0186	0.0078
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.2115	1	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0143	0.0611	0.0508
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0143	0.0611	0.0508
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0041	0.0125	0.0127
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Brugia malayi	hypothetical protein	0.0035	0.0095	0.0271
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.1075	0.0977
Onchocerca volvulus		0.0066	0.0243	0.0566
Mycobacterium tuberculosis	Possible oxidoreductase	0.0143	0.0611	0.0508
Schistosoma mansoni	cellular tumor antigen P53	0.0108	0.0443	0.097
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0143	0.0611	0.0508
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0108	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0108	0.0329
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0143	0.0611	0.0508
Entamoeba histolytica	hypothetical protein	0.0074	0.028	0.3198
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0041	0.0125	0.0016
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0143	0.0611	0.2685
Schistosoma mansoni	hypothetical protein	0.0074	0.028	0.0597
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0143	0.0611	0.0508
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.0421	0.0482
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.0269	0.03
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0108	0.0108
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0269	0.0571
Mycobacterium ulcerans	short chain dehydrogenase	0.0143	0.0611	0.0508
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0023	0.0038	0.0023
Mycobacterium tuberculosis	Possible oxidoreductase	0.0143	0.0611	0.0508
Brugia malayi	RNA binding protein	0.0071	0.0269	0.1085
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0186	0.1538

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 46.01 umol/L	Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method	ChEMBL.	23462716
IC50 (binding)	= 59.75 umol/L	Inhibition of equine BChE using after 10 mins by Ellman's method	ChEMBL.	23462716

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: CHEMBL2334739

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1731364