TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 343.344 | Formula: C16H20F3N3O2
H donors: 2 H acceptors: 2 LogP: 2.33 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
InChi: 1S/C16H20F3N3O2/c1-2-14(23)22-9-7-13(8-10-22)21-15(24)20-12-5-3-11(4-6-12)16(17,18)19/h3-6,13H,2,7-10H2,1H3,(H2,20,21,24)
InChiKey: DPJZJKZKPMESQQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	epoxide hydrolase 2, cytoplasmic	Starlite/ChEMBL	References
Mus musculus	epoxide hydrolase 2, cytoplasmic	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	epoxide hydrolase EphA	Get druggable targets OG5_129061	All targets in OG5_129061
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	Get druggable targets OG5_129061	All targets in OG5_129061

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0025	0.0067
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0473	0.2114	0.2612
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0039	0.0077	0.0046
Brugia malayi	Calcitonin receptor-like protein seb-1	0.004	0.0085	0.034
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0088	0.0309	0.1407
Toxoplasma gondii	hypothetical protein	0.0056	0.0159	0.5157
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0088	0.0309	0.0285
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0088	0.0309	0.0278
Treponema pallidum	fructose-bisphosphate aldolase	0.0267	0.1146	1
Brugia malayi	gamma-secretase subunit aph-1	0.0473	0.2114	1
Trypanosoma brucei	hypothetical protein, conserved	0.0088	0.0309	0.3217
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0088	0.0309	0.0367
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.2156	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.0077	0.0046
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0309	0.0285
Toxoplasma gondii	hypothetical protein	0.007	0.0222	0.7199
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0309	0.0285
Brugia malayi	hypothetical protein	0.007	0.0222	0.0995
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0039	0.0077	0.0053
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0198	0.0827	1
Mycobacterium tuberculosis	Probable hydrolase	0.0088	0.0309	0.0285
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.004	0.0085	0.0349
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0267	0.1146	0.9451
Mycobacterium ulcerans	esterase/lipase LipP	0.0088	0.0309	0.0278
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.0077	0.0053
Loa Loa (eye worm)	hypothetical protein	0.004	0.0085	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Schistosoma mansoni	hypothetical protein	0.0092	0.0329	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0474	0.2201
Echinococcus granulosus	Nicastrin	0.0097	0.035	0.0419
Brugia malayi	gamma-secretase subunit pen-2	0.0186	0.077	0.36
Trypanosoma brucei	Aph-1 protein, putative	0.0184	0.0761	0.9136
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Loa Loa (eye worm)	presenilin spe-4	0.007	0.0222	0.1004
Brugia malayi	hypothetical protein	0.007	0.0222	0.0995
Brugia malayi	Presenilin spe-4	0.007	0.0222	0.0995
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0064	0.0197	0.6372
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0086	0.0091
Leishmania major	hypothetical protein, conserved	0.0088	0.0309	0.3092
Mycobacterium ulcerans	acyl-CoA synthetase	0.0039	0.0077	0.0046
Onchocerca volvulus		0.0088	0.0309	0.6415
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0088	0.0309	0.0367
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.1717
Mycobacterium ulcerans	hypothetical protein	0.0088	0.0309	0.0278
Brugia malayi	beta-lactamase family protein	0.0088	0.0309	0.1407
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Echinococcus multilocularis	presenilin enhancer 2	0.0186	0.077	0.094
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0186	0.077	0.3606
Plasmodium vivax	hypothetical protein, conserved	0.0088	0.0309	0.0309
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0025	0.0013	0.001
Echinococcus multilocularis	Nicastrin	0.0097	0.035	0.0419
Echinococcus granulosus	nicalin	0.0036	0.0063	0.0062
Onchocerca volvulus		0.0088	0.0309	0.6415
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0039	0.0077	0.0046
Onchocerca volvulus		0.0044	0.0103	0.1942
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Mycobacterium leprae	conserved hypothetical protein	0.0088	0.0309	0.6093
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Echinococcus granulosus	tumor protein p63	0.0842	0.3842	0.4759
Echinococcus granulosus	gamma secretase subunit aph 1	0.0473	0.2114	0.2612
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0267	0.1146	0.9451
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.2156	1	1
Mycobacterium leprae	Probable lipase LipE	0.0088	0.0309	0.6093
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0086	0.0091
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.2156	1	1
Schistosoma mansoni	cellular tumor antigen P53	0.0123	0.0474	0.0573
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0086	0.0091
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.013	0.0507	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.004	0.0086	0.0357
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.0056	0.0159	0.1259
Brugia malayi	Presenilin family protein	0.0198	0.0827	0.3872
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Mycobacterium tuberculosis	Probable lipase LipE	0.0088	0.0309	0.0285
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.004	0.0085	0.034
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0086	0.0091
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0562	0.2531	0.2513
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0042	0.0093	0.01
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0086	0.0091
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0077	0.0313
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0039	0.0077	0.152
Echinococcus granulosus	presenilin	0.0198	0.0827	0.1011
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0198	0.0827	0.6188
Schistosoma mansoni	hypothetical protein	0.0027	0.0025	0.0015
Brugia malayi	Presenilin spe-4	0.007	0.0222	0.0995
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0077	0.0046
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.2156	1	1
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Echinococcus multilocularis	Nicastrin	0.0097	0.035	0.0419
Onchocerca volvulus		0.0039	0.0077	0.1384
Brugia malayi	Probable ClpP-like protease	0.0064	0.0197	0.0873
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0592	0.2672	0.2654
Echinococcus multilocularis	tumor protein p63	0.0842	0.3842	0.4759
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0039	0.0077	0.0046
Trichomonas vaginalis	Nicastrin precursor, putative	0.0097	0.035	0.0491
Schistosoma mansoni	survival motor neuron protein	0.0044	0.0103	0.0111
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0088	0.0309	0.0367
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0039	0.0077	0.152
Echinococcus multilocularis	neuropeptide s receptor	0.0422	0.1873	0.2312
Leishmania major	hypothetical protein, conserved	0.0056	0.0159	0.1097
Echinococcus granulosus	neuropeptide receptor A26	0.0422	0.1873	0.2312
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0077	0.0313
Brugia malayi	AMP-binding enzyme family protein	0.0039	0.0077	0.0303
Schistosoma mansoni	peptidase Clp (S14 family)	0.0064	0.0197	0.0228
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0044	0.0103	0.0426
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0042	0.0093	0.0069
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0088	0.0309	0.0285
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.0309	0.3217
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0086	0.0091
Brugia malayi	hypothetical protein	0.0092	0.0329	0.15
Trypanosoma cruzi	Aph-1 protein, putative	0.0184	0.0761	0.9136
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0042	0.0093	0.1842
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0088	0.0309	0.0285
Loa Loa (eye worm)	intermediate filament protein	0.0025	0.0013	0.001
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0088	0.0309	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0097	0.035	0.1611
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0064	0.0197	0.6372
Brugia malayi	Presenilin spe-4	0.007	0.0222	0.0995
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0088	0.0309	0.0285
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0029	0.0031	0.0007
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.004	0.0086	0.0348
Onchocerca volvulus		0.0088	0.0309	0.6415
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0086	0.0091
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0198	0.0827	0.6666
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0198	0.0827	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0077	0.0313
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.0309	0.3217
Schistosoma mansoni	transcription factor LCR-F1	0.0092	0.0329	0.0392
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0197
Giardia lamblia	Fructose-bisphosphate aldolase	0.0267	0.1146	0.5
Brugia malayi	beta-lactamase	0.0088	0.0309	0.1407
Brugia malayi	hypothetical protein	0.0097	0.035	0.1602
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Toxoplasma gondii	ABC1 family protein	0.0088	0.0309	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0092	0.0329	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0216	0.0907	0.4261
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.2156	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.1741	0.8058	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0027	0.0025	0.0056
Trypanosoma cruzi	Aph-1 protein, putative	0.0184	0.0761	0.9136
Echinococcus granulosus	survival motor neuron protein 1	0.0216	0.0907	0.1111
Loa Loa (eye worm)	beta-lactamase	0.0088	0.0309	0.1415
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.013	0.0507	0.0477
Brugia malayi	hypothetical protein	0.0216	0.0907	0.4255
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Trichomonas vaginalis	Nicastrin precursor, putative	0.0097	0.035	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Entamoeba histolytica	acyl-coA synthetase, putative	0.0039	0.0077	0.0121
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0228
Brugia malayi	AMP-binding enzyme family protein	0.0039	0.0077	0.0303
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0198	0.0827	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0039	0.0077	0.0046
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Echinococcus granulosus	beta LACTamase domain containing family member	0.0088	0.0309	0.0367
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0064	0.0197	0.3883
Echinococcus multilocularis	microtubule associated protein 2	0.1741	0.8058	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Mycobacterium ulcerans	lipase LipD	0.0088	0.0309	0.0278
Echinococcus multilocularis	survival motor neuron protein 1	0.0216	0.0907	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Echinococcus multilocularis	presenilin	0.0198	0.0827	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.001
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Echinococcus granulosus	neuropeptide s receptor	0.0422	0.1873	0.2312
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0042	0.0093	0.0069
Echinococcus granulosus	microtubule associated protein 2	0.1741	0.8058	1
Brugia malayi	hypothetical protein	0.0097	0.035	0.1602
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0039	0.0077	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Onchocerca volvulus		0.0123	0.0474	1
Echinococcus granulosus	presenilin enhancer 2	0.0186	0.077	0.094
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0228
Brugia malayi	hypothetical protein	0.007	0.0222	0.0995
Mycobacterium ulcerans	acyl-CoA synthetase	0.0039	0.0077	0.0046
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0749	0.3406	0.4217
Mycobacterium tuberculosis	Probable lipase LipD	0.0088	0.0309	0.0285
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0092	0.0329	0.0392
Mycobacterium ulcerans	beta-lactamase	0.0088	0.0309	0.0278
Echinococcus multilocularis	neuropeptide receptor A26	0.0422	0.1873	0.2312
Schistosoma mansoni	hypothetical protein	0.0044	0.0103	0.0111
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Plasmodium vivax	acyl-CoA synthetase, putative	0.0029	0.0031	0.0031
Brugia malayi	beta-lactamase family protein	0.0088	0.0309	0.1407
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0198	0.0827	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.2156	1	1
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0198	0.0827	0.6188
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.2156	1	1
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0473	0.2114	0.2612
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0198	0.0827	0.6188
Schistosoma mansoni	hypothetical protein	0.0097	0.035	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Plasmodium falciparum	acyl-CoA synthetase	0.0029	0.0031	0.0031
Echinococcus granulosus	peptidase Clp S14 family	0.0042	0.0093	0.01
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0473	0.2114	1
Brugia malayi	Presenilin-like protein At2g29900	0.007	0.0222	0.0995
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0592	0.2672	0.2649
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0039	0.0077	0.0121
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0309	0.0285
Echinococcus multilocularis	nicalin	0.0036	0.0063	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0197	0.0883
Brugia malayi	AMP-binding enzyme family protein	0.0039	0.0077	0.0303
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0064	0.0197	0.0197
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.013	0.0507	0.0484
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0198	0.0827	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.7 nM	Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay	ChEMBL.	20812725
IC50 (binding)	= 0.7 nM	Fluorescent Based Assay	BINDINGDB.	No reference
IC50 (binding)	= 6.5 nM	Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay	ChEMBL.	20812725
IC50 (binding)	= 6.5 nM	Fluorescent Based Assay	BINDINGDB.	No reference
IC50 (binding)	= 9.3 nM	FA	BINDINGDB.	No reference
IC50 (binding)	= 89.6 nM	t-DPPO	BINDINGDB.	No reference
Ki (binding)	= 2.96 nM	Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay	ChEMBL.	25079952

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: CHEMBL1258670

Bibliographic References

2 literature references were 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 1256865