TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.428 | Formula: C18H17F3N6S
H donors: 0 H acceptors: 4 LogP: 3.71 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1ccc(cc1)N1CCN(CC1)c1ccc(nn1)c1snc(n1)C)(F)F
InChi: 1S/C18H17F3N6S/c1-12-22-17(28-25-12)15-6-7-16(24-23-15)27-10-8-26(9-11-27)14-4-2-13(3-5-14)18(19,20)21/h2-7H,8-11H2,1H3
InChiKey: VWTKXWJLWJUWAZ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0046	0.0038
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0031	0.00000000038661
Onchocerca volvulus		0.0074	0.0796	0.1607
Giardia lamblia	Sgs1 DNA helicase, putative	0.0009	0.0031	0.017
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0046	0.0038
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0796	1
Loa Loa (eye worm)	animal heme peroxidase	0.0415	0.4809	1
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Echinococcus granulosus	expressed protein	0.0035	0.0332	0.0304
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0046	0.0038
Schistosoma mansoni	peroxidasin	0.0415	0.4809	0.4804
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0022	0.0186	0.2056
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0232	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Trichomonas vaginalis	rotamase, putative	0.0035	0.0332	0.4165
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0381	0.0353
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0796	0.1407
Schistosoma mansoni	cpg binding protein	0.006	0.0633	0.0624
Schistosoma mansoni	ferritin	0.0009	0.0029	0.002
Schistosoma mansoni	ferritin light chain	0.0009	0.0029	0.002
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Echinococcus multilocularis	geminin	0.0523	0.6081	0.607
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.0796	1
Echinococcus granulosus	protein quaking	0.0028	0.026	0.0231
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0487	0.046
Mycobacterium leprae	Probable lipase LipE	0.0074	0.0796	1
Echinococcus granulosus	bloom syndrome protein	0.0022	0.018	0.0151
Schistosoma mansoni	rotamase	0.0035	0.0332	0.0323
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0012	0.0147
Brugia malayi	hypothetical protein	0.0026	0.0232	0.0427
Schistosoma mansoni	thyroid hormone receptor	0.0138	0.1545	0.1537
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0487	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0046	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0796	0.1607
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0063	0.0034
Schistosoma mansoni	cpg binding protein	0.0064	0.0673	0.0665
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0022	0.0186	0.0177
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0232	0.1631
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0046	0.0038
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0022	0.0186	0.0158
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0022	0.0186	0.0289
Trypanosoma brucei	hypothetical protein	0.0117	0.1299	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0127	0.1424	0.14
Onchocerca volvulus	Peroxidasin homolog	0.0415	0.4809	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0712	0.2021
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0022	0.0186	0.2056
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0487	0.0478
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0796	0.5978
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0487	0.096
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0046	0.0017
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Brugia malayi	glutathione reductase	0.0064	0.0676	0.1356
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0046	0.0017
Brugia malayi	Animal haem peroxidase family protein	0.0415	0.4809	1
Brugia malayi	beta-lactamase family protein	0.0074	0.0796	0.1607
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.0149	0.2095
Loa Loa (eye worm)	histone methyltransferase	0.0019	0.0145	0.0244
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0046	0.0038
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.018	0.2258
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1299	1
Onchocerca volvulus	Peroxidase homolog	0.0415	0.4809	1
Schistosoma mansoni	hypothetical protein	0.0523	0.6081	0.6078
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0034	0.0322	0.09
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0796	1
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0322	0.2184
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0046	0.0017
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0016	0.0117	0.0186
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0186	0.1094
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0046	0.0038
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.0796	0.1407
Brugia malayi	hypothetical protein	0.0028	0.026	0.0485
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0046	0.0017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0046	0.0038
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.0796	0.1407
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0186	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0022	0.0186	0.2047
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.018	0.0151
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0712	0.5301
Loa Loa (eye worm)	animal heme peroxidase	0.0415	0.4809	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0796	0.1607
Trichomonas vaginalis	glutathione reductase, putative	0.0022	0.0186	0.2334
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0796	0.0788
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0015	0.0101	0.0073
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.0796	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0232	0.3341
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Schistosoma mansoni	coup transcription factor	0.001	0.0046	0.0037
Schistosoma mansoni	peroxidasin	0.0415	0.4809	0.4804
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0332	0.4165
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.0796	0.1407
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0322	0.2184
Schistosoma mansoni	ferritin light chain	0.0009	0.0029	0.002
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.0796	0.1407
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0022	0.0186	0.033
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0064	0.0676	0.0649
Schistosoma mansoni	hypothetical protein	0.0857	1	1
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0009	0.0031	0.0002
Onchocerca volvulus		0.0415	0.4809	1
Schistosoma mansoni	apoferritin-2	0.0009	0.0029	0.002
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Mycobacterium ulcerans	bacterioferritin BfrB	0.0009	0.0029	0.0011
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0138	0.1545	0.152
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0009	0.0031	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Echinococcus multilocularis	protein quaking	0.0028	0.026	0.0231
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.0796	0.077
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0046	0.0038
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0022	0.0186	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0138	0.1545	0.1537
Brugia malayi	ecdysteroid receptor	0.001	0.0046	0.0038
Echinococcus granulosus	peroxidasin	0.0415	0.4809	0.4794
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0046	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Loa Loa (eye worm)	blistered cuticle protein 3	0.0415	0.4809	1
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.0796	0.077
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0796	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0114	0.1266	1
Plasmodium vivax	thioredoxin reductase, putative	0.0064	0.0676	0.8285
Brugia malayi	beta-lactamase	0.0074	0.0796	0.1607
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0046	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Echinococcus granulosus	microtubule associated protein 2	0.0732	0.8537	0.8533
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0232	0.1464
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0046	0.0037
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0015	0.0101	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0086	0.108
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0016	0.0117	0.0186
Echinococcus granulosus	protein cereblon	0.0303	0.3485	0.3466
Onchocerca volvulus	Chorion peroxidase homolog	0.0415	0.4809	1
Brugia malayi	Animal haem peroxidase family protein	0.0415	0.4809	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0015	0.0101	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0046	0.0038
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0142	0.0238
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0009	0.0029	0.0002
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0061	0.0772
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0022	0.0186	0.2056
Schistosoma mansoni	hypothetical protein	0.0028	0.026	0.0251
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0046	0.0038
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0046	0.0037
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0186	0.1094
Trichomonas vaginalis	esterase, putative	0.0074	0.0796	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0014	0.0095	0.0525
Mycobacterium ulcerans	bacterioferritin BfrA	0.0009	0.0029	0.0011
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.018	0.2258
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0796	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0031	0.0006
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.2683	0.5554
Loa Loa (eye worm)	thioredoxin reductase	0.0064	0.0676	0.1356
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0086	0.108
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0046	0.0038
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0046	0.0037
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.0796	0.1407
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.0796	0.1407
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.0796	0.1607
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0009	0.0031	0.0002
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0712	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.0046	0.0038
Loa Loa (eye worm)	beta-lactamase	0.0074	0.0796	0.1607
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0022	0.0186	0.0289
Onchocerca volvulus		0.0415	0.4809	1
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.0796	1
Loa Loa (eye worm)	animal heme peroxidase	0.0415	0.4809	1
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.0796	0.5978
Trichomonas vaginalis	rotamase, putative	0.0034	0.0322	0.4045
Brugia malayi	hypothetical protein	0.0303	0.3485	0.7232
Entamoeba histolytica	hypothetical protein, conserved	0.0303	0.3485	1
Plasmodium falciparum	thioredoxin reductase	0.0022	0.0186	0.2648
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0046	0.0038
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0086	0.108
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0186	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0086	0.108
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0487	0.046
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0046	0.0017
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.018	0.0318
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0487	0.046
Brugia malayi	nuclear hormone receptor	0.001	0.0046	0.0038
Echinococcus granulosus	geminin	0.0523	0.6081	0.607
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0009	0.0031	0.0006
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0031	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0796	0.1607
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0022	0.0186	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0028	0.026	0.0485
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0322	0.2184
Trypanosoma brucei	calpain-like protein, putative	0.0117	0.1299	1
Echinococcus multilocularis	dnaJ subfamily B	0.0857	1	1
Onchocerca volvulus	Peroxidase homolog	0.0415	0.4809	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0046	0.0038
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0086	0.108
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0186	0.1094
Brugia malayi	hypothetical protein	0.0123	0.1375	0.2817
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0015	0.0101	0.0073
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0232	0.1926
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Trypanosoma cruzi	trypanothione reductase, putative	0.0064	0.0676	0.5019
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1299	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0712	0.0685
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0031	0.0006
Trichomonas vaginalis	mercuric reductase, putative	0.0022	0.0186	0.2334
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0712	0.5301
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0022	0.0186	0.2648
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0019	0.0145	0.0116
Schistosoma mansoni	hypothetical protein	0.0028	0.026	0.0251
Loa Loa (eye worm)	RecQ helicase	0.0022	0.018	0.0318
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0127	0.1424	0.14
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0046	0.0037
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0046	0.0038
Trichomonas vaginalis	Phosphoglycerol transferase I, putative	0.0009	0.0028	0.0351
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0027	0.0018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0046	0.0038
Echinococcus multilocularis	protein cereblon	0.0303	0.3485	0.3466
Plasmodium falciparum	glutathione reductase	0.0064	0.0676	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0019	0.0145	0.0116
Brugia malayi	tumor suppressor.	0.0336	0.3871	0.804
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0712	0.143
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0046	0.0017
Onchocerca volvulus		0.0415	0.4809	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0022	0.0186	1
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Echinococcus granulosus	cpg binding protein	0.0064	0.0673	0.0647
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0712	0.5301
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0128	0.1426	0.1418
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0086	0.108
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0086	0.108
Brugia malayi	Animal haem peroxidase family protein	0.0415	0.4809	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0017	0.0126	0.0117
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0022	0.0186	0.1094
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Schistosoma mansoni	cpg binding protein	0.0064	0.0673	0.0665
Leishmania major	hypothetical protein, conserved	0.0026	0.0232	0.1464
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0022	0.0186	0.0158
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0061	0.0098
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0046	0.0038
Onchocerca volvulus	Peroxidasin homolog	0.0415	0.4809	1
Toxoplasma gondii	PPIC-type PPIASE domain-containing protein	0.001	0.0049	0.015
Trichomonas vaginalis	hypothetical protein	0.0007	0.0012	0.0147
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0046	0.0037
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0046	0.0017
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0046	0.0037
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0046	0.0017
Trypanosoma brucei	trypanothione reductase	0.0064	0.0676	0.5019
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0381	0.0353
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0487	0.046
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0712	0.5301
Brugia malayi	Peroxidasin	0.0415	0.4809	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0232	0.1464
Mycobacterium ulcerans	lipase LipD	0.0074	0.0796	1
Trichomonas vaginalis	helicase, putative	0.0014	0.0086	0.108
Loa Loa (eye worm)	animal heme peroxidase	0.0415	0.4809	1
Onchocerca volvulus		0.0074	0.0796	0.1607
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0232	0.1464
Schistosoma mansoni	hypothetical protein	0.0127	0.1424	0.1417
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Echinococcus multilocularis	peroxidasin	0.0415	0.4809	0.4794
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0796	0.1607
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0046	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0303	0.3485	0.7232
Schistosoma mansoni	DNA helicase recq5	0.0009	0.0031	0.0021
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0022	0.0186	0.1094
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0101	0.0092
Echinococcus granulosus	thioredoxin glutathione reductase	0.0064	0.0676	0.0649
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Mycobacterium ulcerans	beta-lactamase	0.0074	0.0796	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0046	0.0017
Schistosoma mansoni	hypothetical protein	0.0303	0.3485	0.3479
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Brugia malayi	Animal haem peroxidase family protein	0.0415	0.4809	1
Schistosoma mansoni	microtubule-associated protein tau	0.0732	0.8537	0.8535
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0061	0.015
Trypanosoma cruzi	trypanothione reductase, putative	0.0022	0.0186	0.1094
Schistosoma mansoni	hypothetical protein	0.0523	0.6081	0.6078
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0046	0.0037
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0046	0.0038
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0473	0.5486	1
Leishmania major	hypothetical protein, conserved	0.0074	0.0796	0.5978
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0046	0.0038
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0046	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0796	0.1607
Trichomonas vaginalis	ferritin, putative	0.0009	0.0029	0.0361
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Brugia malayi	Animal haem peroxidase family protein	0.0415	0.4809	1
Brugia malayi	steroid hormone receptor	0.001	0.0046	0.0038
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0064	0.0676	0.1188
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Trichomonas vaginalis	mucin-desulfating sulfatase, putative	0.0009	0.0028	0.0351
Loa Loa (eye worm)	CXXC zinc finger family protein	0.006	0.0633	0.1266
Onchocerca volvulus		0.006	0.0633	0.1266
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0046	0.0017
Brugia malayi	Thioredoxin reductase	0.0064	0.0676	0.1356
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.0796	0.1407
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0046	0.0038
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0796	1
Echinococcus granulosus	hypothetical protein	0.0028	0.026	0.0231
Brugia malayi	beta-lactamase family protein	0.0074	0.0796	0.1607
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.2683	0.5554
Onchocerca volvulus	Protein cereblon homolog	0.0303	0.3485	0.7232
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0712	0.143
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0046	0.0017
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0009	0.0029	0.0002
Schistosoma mansoni	DNA helicase recq1	0.0009	0.0031	0.0021
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0046	0.0038
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0009	0.0031	0.0321
Plasmodium vivax	glutathione reductase, putative	0.0064	0.0676	0.8285
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0061	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0712	0.0685
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Schistosoma mansoni	apoferritin-2	0.0009	0.0029	0.002
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0232	0.3341
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0046	0.0017
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0022	0.0186	0.1094
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0796	0.1407
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0487	0.0478
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0046	0.0037
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0046	0.0038
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1299	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0012	0.0147
Echinococcus multilocularis	microtubule associated protein 2	0.0732	0.8537	0.8533
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.0322	0.2359
Leishmania major	trypanothione reductase	0.0064	0.0676	0.5019
Toxoplasma gondii	thioredoxin reductase	0.0064	0.0676	0.5227
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0022	0.0186	0.1264
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Schistosoma mansoni	ferritin	0.0009	0.0029	0.002
Loa Loa (eye worm)	hypothetical protein	0.001	0.0046	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Treponema pallidum	NADH oxidase	0.0022	0.0186	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0046	0.0017
Brugia malayi	CXXC zinc finger family protein	0.006	0.0633	0.1266
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1299	1
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0035	0.0332	0.0635
Toxoplasma gondii	ABC1 family protein	0.0074	0.0796	0.6197
Onchocerca volvulus		0.001	0.0046	0.0038
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0022	0.0186	0.0289
Echinococcus multilocularis	cpg binding protein	0.0064	0.0673	0.0647
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Plasmodium falciparum	glutathione reductase	0.0022	0.0186	0.2648
Brugia malayi	Temporarily assigned gene name protein 44	0.0028	0.026	0.0485
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0796	0.1407
Schistosoma mansoni	ferritin	0.0009	0.0029	0.002
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0046	0.0038
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0046	0.0017
Mycobacterium tuberculosis	Probable oxidoreductase	0.0022	0.0186	0.0289
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.0796	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0022	0.0186	0.1257
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0046	0.0038
Toxoplasma gondii	NADPH-glutathione reductase	0.0022	0.0186	0.1257
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0086	0.108
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0035	0.0332	0.0635
Echinococcus multilocularis	expressed protein	0.0035	0.0332	0.0304
Loa Loa (eye worm)	glutathione reductase	0.0064	0.0676	0.1356
Schistosoma mansoni	hypothetical protein	0.0012	0.0063	0.0054
Loa Loa (eye worm)	tumor suppressor	0.0336	0.3871	0.804
Onchocerca volvulus		0.0074	0.0796	0.1607
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0022	0.0186	0.1094
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0046	0.0038
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0487	0.096
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0186	0.1094
Plasmodium falciparum	thioredoxin reductase	0.0064	0.0676	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0186	0.1094
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0086	0.108
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0061	0.0098
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0117	0.1299	1
Onchocerca volvulus	Dual oxidase homolog	0.0415	0.4809	1
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0117	0.1299	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0322	0.2184
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0046	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0028	0.0351
Schistosoma mansoni	ferritin	0.0009	0.0029	0.002
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.001	0.0049	0.1298
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0796	0.5978
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0063	0.0034
Mycobacterium ulcerans	hypothetical protein	0.0074	0.0796	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0022	0.0186	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0796	0.0788
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1299	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1299	1
Brugia malayi	hypothetical protein	0.0415	0.4809	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0796	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0321	0.3702	0.7686
Loa Loa (eye worm)	hypothetical protein	0.0415	0.4809	1
Brugia malayi	Blistered cuticle protein 3	0.0415	0.4809	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0046	0.0017
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.0796	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0128	0.021
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0009	0.0031	0.0002
Brugia malayi	hypothetical protein	0.0017	0.0123	0.02
Trypanosoma brucei	calpain, putative	0.0117	0.1299	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0046	0.0037
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1299	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Eye toxicity (ADMET)	0	Compound was evaluated for ocular toxicity assessed after oral dosing at 40 mg/kg b.i.d. in male Wistar rat; Not tested	ChEMBL.	11844678
Eye toxicity (ADMET)	0	Ocular toxicity was assessed after oral dosing of the compound at 40 mg/Kg b.i.d. for 4 days in male Wistar rats; Not tested	ChEMBL.	No reference
IC50 (functional)	= 12 nM	Anti-angiogenic activity as inhibition of microvessel growth in rat aortic ring cultured in a fibrin clot	ChEMBL.	11844678
IC50 (functional)	= 12 nM	Anti-angiogenic activity is measured by quantitation of microvessel growth inhibition in rat aortic rings cultured in a fibrin clot for 8 days	ChEMBL.	No reference
Inhibition (functional)	%	In vivo percentage inhibition of 3LL Lewis Lung tumor metastases following p.o. dosing b.i.d. for 28 days in B6D2F1 mice; Not tested.	ChEMBL.	No reference
Inhibition (functional)	NT 0 %	In vivo anti-tumor and anti-metastatic activity following p.o. administration b.i.d. to B6D2F1 mice bearing metastatic 3LL Lewis lung tumor; Not tested.	ChEMBL.	11844678
Inhibition (functional)	NT 0 %	In vivo percentage inhibition of 3LL Lewis Lung tumor metastases following p.o. dosing b.i.d. for 28 days in B6D2F1 mice; Not tested.	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: CHEMBL14621

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 14242