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
Mus musculus	epoxide hydrolase 2, cytoplasmic	Starlite/ChEMBL	References
Homo sapiens	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 tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	Get druggable targets OG5_129061	All targets in OG5_129061
Mycobacterium ulcerans	epoxide hydrolase EphA	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
Toxoplasma gondii	ABC1 family protein	0.0088	0.0309	1
Brugia malayi	beta-lactamase family protein	0.0088	0.0309	0.1407
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0474	0.2201
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.0309	0.3217
Brugia malayi	beta-lactamase	0.0088	0.0309	0.1407
Echinococcus granulosus	neuropeptide receptor A26	0.0422	0.1873	0.2312
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0092	0.0329	0.0392
Mycobacterium tuberculosis	Probable esterase LipL	0.0088	0.0309	0.0285
Mycobacterium ulcerans	acyl-CoA synthetase	0.0039	0.0077	0.0046
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0473	0.2114	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0086	0.0091
Plasmodium vivax	acyl-CoA synthetase, putative	0.0029	0.0031	0.0031
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.035	0.1611
Plasmodium falciparum	acyl-CoA synthetase	0.0029	0.0031	0.0031
Trypanosoma cruzi	Aph-1 protein, putative	0.0184	0.0761	0.9136
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0267	0.1146	0.9451
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0562	0.2531	0.2513
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Brugia malayi	Presenilin spe-4	0.007	0.0222	0.0995
Mycobacterium leprae	Probable lipase LipE	0.0088	0.0309	0.6093
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0198	0.0827	1
Loa Loa (eye worm)	presenilin spe-4	0.007	0.0222	0.1004
Echinococcus granulosus	presenilin	0.0198	0.0827	0.1011
Brugia malayi	gamma-secretase subunit aph-1	0.0473	0.2114	1
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0228
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0198	0.0827	0.6188
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	0.0029	0.0031	0.0096
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0198	0.0827	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Toxoplasma gondii	hypothetical protein	0.007	0.0222	0.7199
Entamoeba histolytica	acyl-coA synthetase, putative	0.0039	0.0077	0.0121
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0039	0.0077	0.0046
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0088	0.0309	0.0285
Onchocerca volvulus		0.0088	0.0309	0.6415
Mycobacterium tuberculosis	Probable hydrolase	0.0088	0.0309	0.0285
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.1717
Onchocerca volvulus		0.0088	0.0309	0.6415
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0088	0.0309	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Echinococcus granulosus	tumor protein p63	0.0842	0.3842	0.4759
Loa Loa (eye worm)	beta-lactamase	0.0088	0.0309	0.1415
Mycobacterium ulcerans	esterase/lipase LipP	0.0088	0.0309	0.0278
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.0077	0.0046
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0029	0.0031	0.0007
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
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0077	0.0313
Brugia malayi	Presenilin-like protein At2g29900	0.007	0.0222	0.0995
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0039	0.0077	0.0121
Schistosoma mansoni	hypothetical protein	0.0027	0.0025	0.0015
Schistosoma mansoni	hypothetical protein	0.0092	0.0329	0.0392
Brugia malayi	Presenilin spe-4	0.007	0.0222	0.0995
Brugia malayi	hypothetical protein	0.0097	0.035	0.1602
Schistosoma mansoni	microtubule-associated protein tau	0.1741	0.8058	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0039	0.0077	0.0053
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0088	0.0309	0.0285
Brugia malayi	hypothetical protein	0.007	0.0222	0.0995
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.2156	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0013	0.001
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0064	0.0197	0.0197
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0198	0.0827	0.6188
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0592	0.2672	0.2649
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0309	0.0285
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.004	0.0086	0.0348
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0088	0.0309	0.0367
Onchocerca volvulus		0.0039	0.0077	0.1384
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0473	0.2114	0.2612
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Mycobacterium leprae	conserved hypothetical protein	0.0088	0.0309	0.6093
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.004	0.0085	0.034
Trichomonas vaginalis	Nicastrin precursor, putative	0.0097	0.035	0.0491
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.013	0.0507	0.0484
Mycobacterium ulcerans	acyl-CoA synthetase	0.0039	0.0077	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Echinococcus granulosus	neuropeptide s receptor	0.0422	0.1873	0.2312
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0086	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0216	0.0907	0.4261
Onchocerca volvulus		0.0044	0.0103	0.1942
Plasmodium vivax	hypothetical protein, conserved	0.0088	0.0309	0.0309
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0088	0.0309	0.1407
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0186	0.077	0.3606
Brugia malayi	AMP-binding enzyme family protein	0.0039	0.0077	0.0303
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0086	0.0091
Schistosoma mansoni	survival motor neuron protein	0.0044	0.0103	0.0111
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Echinococcus granulosus	gamma secretase subunit aph 1	0.0473	0.2114	0.2612
Brugia malayi	beta-lactamase family protein	0.0088	0.0309	0.1407
Mycobacterium ulcerans	hypothetical protein	0.0088	0.0309	0.0278
Trypanosoma brucei	Aph-1 protein, putative	0.0184	0.0761	0.9136
Treponema pallidum	fructose-bisphosphate aldolase	0.0267	0.1146	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0039	0.0077	0.0046
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.004	0.0086	0.0357
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0198	0.0827	0.6666
Leishmania major	hypothetical protein, conserved	0.0088	0.0309	0.3092
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.013	0.0507	0.0477
Loa Loa (eye worm)	intermediate filament protein	0.0025	0.0013	0.001
Brugia malayi	gamma-secretase subunit pen-2	0.0186	0.077	0.36
Echinococcus granulosus	peptidase Clp S14 family	0.0042	0.0093	0.01
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Trypanosoma brucei	hypothetical protein, conserved	0.0088	0.0309	0.3217
Schistosoma mansoni	hypothetical protein	0.0097	0.035	0.0419
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0039	0.0077	0.0046
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0216	0.0907	0.1111
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Brugia malayi	latrophilin 2 splice variant baaae	0.0027	0.0025	0.0056
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.2156	1	1
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0198	0.0827	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0039	0.0077	0.0046
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0064	0.0197	0.3883
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0309	0.0285
Brugia malayi	Presenilin spe-4	0.007	0.0222	0.0995
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0039	0.0077	0.152
Echinococcus granulosus	Nicastrin	0.0097	0.035	0.0419
Onchocerca volvulus		0.0123	0.0474	1
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.2156	1	1
Entamoeba histolytica	hypothetical protein	0.0092	0.0329	0.2316
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0039	0.0077	0.152
Mycobacterium ulcerans	lipase LipD	0.0088	0.0309	0.0278
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0198	0.0827	0.6188
Echinococcus granulosus	nicalin	0.0036	0.0063	0.0062
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.0056	0.0159	0.1259
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0198	0.0827	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0039	0.0077	0.0121
Echinococcus multilocularis	presenilin enhancer 2	0.0186	0.077	0.094
Giardia lamblia	Fructose-bisphosphate aldolase	0.0267	0.1146	0.5
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0473	0.2114	0.2612
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0086	0.0091
Mycobacterium tuberculosis	Probable lipase LipE	0.0088	0.0309	0.0285
Echinococcus multilocularis	nicalin	0.0036	0.0063	0.0062
Entamoeba histolytica	fatty acid elongase, putative	0.028	0.1209	1
Echinococcus granulosus	microtubule associated protein 2	0.1741	0.8058	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0044	0.0103	0.0426
Mycobacterium ulcerans	beta-lactamase	0.0088	0.0309	0.0278
Echinococcus multilocularis	Nicastrin	0.0097	0.035	0.0419
Brugia malayi	AMP-binding enzyme family protein	0.0039	0.0077	0.0303
Leishmania major	hypothetical protein, conserved	0.0056	0.0159	0.1097
Toxoplasma gondii	hypothetical protein	0.0056	0.0159	0.5157
Echinococcus granulosus	beta LACTamase domain containing family member	0.0088	0.0309	0.0367
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0197
Brugia malayi	hypothetical protein	0.007	0.0222	0.0995
Echinococcus multilocularis	neuropeptide s receptor	0.0422	0.1873	0.2312
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Echinococcus multilocularis	presenilin	0.0198	0.0827	0.1011
Brugia malayi	AMP-binding enzyme family protein	0.0039	0.0077	0.0303
Echinococcus granulosus	presenilin enhancer 2	0.0186	0.077	0.094
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0088	0.0309	0.0285
Echinococcus multilocularis	tumor protein p63	0.0842	0.3842	0.4759
Schistosoma mansoni	transcription factor LCR-F1	0.0092	0.0329	0.0392
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.004	0.0085	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0025	0.0067
Schistosoma mansoni	hypothetical protein	0.0044	0.0103	0.0111
Echinococcus multilocularis	neuropeptide receptor A26	0.0422	0.1873	0.2312
Brugia malayi	Presenilin family protein	0.0198	0.0827	0.3872
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Brugia malayi	hypothetical protein	0.0097	0.035	0.1602
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0749	0.3406	0.4217
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0077	0.0313
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0025	0.0013	0.001
Schistosoma mansoni	peptidase Clp (S14 family)	0.0064	0.0197	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0031	0.0096
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0086	0.0091
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.2156	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0088	0.0309	0.1415
Brugia malayi	hypothetical protein	0.0216	0.0907	0.4255
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0267	0.1146	0.9451
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0042	0.0093	0.0069
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.2156	1	1
Trypanosoma cruzi	Aph-1 protein, putative	0.0184	0.0761	0.9136
Echinococcus multilocularis	microtubule associated protein 2	0.1741	0.8058	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0088	0.0309	0.0285
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0198	0.0827	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0197	0.0883
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0042	0.0093	0.1842
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.2156	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0088	0.0309	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0077	0.0313
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0592	0.2672	0.2654
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0309	0.0285
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0092	0.0329	0.0392
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.013	0.0507	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0064	0.0197	0.6372
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0042	0.0093	0.01
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0088	0.0309	0.0367
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0077	0.0046
Brugia malayi	Probable ClpP-like protease	0.0064	0.0197	0.0873
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0042	0.0093	0.0069
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0086	0.0091
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0064	0.0197	0.0166
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.0309	0.3217
Onchocerca volvulus		0.0088	0.0309	0.6415
Loa Loa (eye worm)	hypothetical protein	0.004	0.0085	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0309	0.1415
Brugia malayi	hypothetical protein	0.0092	0.0329	0.15
Schistosoma mansoni	cellular tumor antigen P53	0.0123	0.0474	0.0573
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.2156	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0216	0.0907	0.1111
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0267	0.1146	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.004	0.0085	0.034
Trichomonas vaginalis	Nicastrin precursor, putative	0.0097	0.035	0.0491
Brugia malayi	hypothetical protein	0.007	0.0222	0.0995
Echinococcus multilocularis	Nicastrin	0.0097	0.035	0.0419

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