TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 375.462 | Formula: C20H29N3O4
H donors: 4 H acceptors: 4 LogP: 2.37 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N[C@H](C(=O)O)Cc1ccccc1)CCCNC(=O)NC1CCCCC1
InChi: 1S/C20H29N3O4/c24-18(23-17(19(25)26)14-15-8-3-1-4-9-15)12-7-13-21-20(27)22-16-10-5-2-6-11-16/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H,23,24)(H,25,26)(H2,21,22,27)/t17-/m0/s1
InChiKey: HOATWWQBDAORFC-KRWDZBQOSA-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

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
Echinococcus multilocularis	caspase	0.0106	0.0143	0.0249
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0605
Plasmodium falciparum	metacaspase-like protein	0.0028	0.0021	0.0283
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0071	0.0089	0.1218
Brugia malayi	Cell death protein 3 precursor	0.0028	0.0021	0.0284
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0446	0.0682	0.9361
Echinococcus multilocularis	caspase 8	0.0028	0.0021	0.0036
Brugia malayi	isocitrate dehydrogenase	0.0015	0	0.0003
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Echinococcus granulosus	caspase 2	0.0028	0.0021	0.0036
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0089	0.2602
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0048	0.0052	0.0768
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0028	0.0021	0.0284
Brugia malayi	cathepsin B-like cysteine proteinase	0.0139	0.0195	0.2677
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.0089	0.0177
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.0089	0.1218
Schistosoma mansoni	tyrosine kinase	0.0077	0.0097	0.0193
Brugia malayi	Cathepsin L-like precursor	0.0015	0.000005076	0.0001
Echinococcus multilocularis	cathepsin b	0.0139	0.0195	0.0338
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0052	0.0716
Brugia malayi	Cathepsin L-like precursor	0.0015	0.000005076	0.0001
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0046	0.0049	0.0084
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0446	0.0682	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.1218
Loa Loa (eye worm)	TK/INSR protein kinase	0.0046	0.0049	0.0668
Leishmania major	metacaspase, putative	0.0028	0.0021	0.0302
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0446	0.0682	0.9361
Schistosoma mansoni	tyrosine kinase	0.0077	0.0098	0.0196
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.0341	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0139	0.0195	0.0389
Loa Loa (eye worm)	cysteine protease	0.0015	0.000005076	0.0001
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0046	0.0049	0.0084
Entamoeba histolytica	kinesin, putative	0.0476	0.0728	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0028	0.0021	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0028	0.0385
Echinococcus granulosus	cathepsin L	0.0015	0.000005076	0.0000088002
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0197	0.0288	0.0201
Schistosoma mansoni	tyrosine kinase	0.0077	0.0097	0.0193
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0446	0.0682	0.9361
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0092	0.0121	0.1781
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0446	0.0682	0.9361
Plasmodium falciparum	kinesin-5	0.0476	0.0728	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0092	0.0121	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0015	0.000005076	0.0001
Onchocerca volvulus		0.0231	0.0341	0.5001
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0028	0.0385
Echinococcus multilocularis	caspase 2	0.0028	0.0021	0.0036
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0022	0.0038
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0022	0.0038
Echinococcus multilocularis	epidermal growth factor receptor	0.0077	0.0098	0.017
Schistosoma mansoni	tyrosine kinase	0.0077	0.0097	0.0193
Brugia malayi	hypothetical protein	0.0446	0.0682	0.9361
Onchocerca volvulus		0.0071	0.0089	0.1301
Schistosoma mansoni	kinase	0.0047	0.005	0.0099
Mycobacterium tuberculosis	Probable hydrolase	0.0071	0.0089	0.0095
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0022	0.0044
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.0089	0.2602
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0052	0.0716
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0015	0.000005076	0.0000088002
Brugia malayi	Papain family cysteine protease containing protein	0.0015	0.000005076	0.0001
Plasmodium vivax	kinesin-5	0.0476	0.0728	1
Mycobacterium tuberculosis	Conserved protein	0.0071	0.0089	0.0095
Schistosoma mansoni	hypothetical protein	0.0033	0.0028	0.0056
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0071	0.0089	0.0095
Toxoplasma gondii	kinesin motor domain-containing protein	0.0476	0.0728	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0022	0.0038
Plasmodium falciparum	protoporphyrinogen oxidase	0.0446	0.0682	0.9361
Echinococcus multilocularis	insulin receptor	0.0046	0.0049	0.0084
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.0089	0.7305
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0021	0.0284
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0605
Plasmodium vivax	SET domain protein, putative	0.0029	0.0022	0.03
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0022	0.0044
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0446	0.0682	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0052	0.0716
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0048	0.0052	0.0105
Schistosoma mansoni	amine oxidase	0.0446	0.0682	0.1359
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0092	0.0121	0.1668
Brugia malayi	Papain family cysteine protease containing protein	0.0015	0.000005076	0.0001
Brugia malayi	Kinesin motor domain containing protein	0.0476	0.0728	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Trypanosoma cruzi	metacaspase, putative	0.0028	0.0021	0.0302
Trichomonas vaginalis	esterase, putative	0.0071	0.0089	0.2602
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0682	0.9361
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0446	0.0682	0.1182
Loa Loa (eye worm)	ctsf protein	0.0015	0.000005076	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.1218
Onchocerca volvulus		0.0446	0.0682	1
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0048	0.1404
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0197	0.0288	0.031
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0	0.0002
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Echinococcus granulosus	epidermal growth factor receptor	0.0144	0.0204	0.0353
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0022	0.0044
Toxoplasma gondii	ABC1 family protein	0.0071	0.0089	0.1218
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0015	0.000005076	0.0000088002
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0	0.0003
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Trypanosoma brucei	metacaspase 5, putative	0.0028	0.0021	0.1698
Echinococcus granulosus	insulin receptor	0.0046	0.0049	0.0084
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0089	0.2602
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0052	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.1218
Loa Loa (eye worm)	cathepsin B	0.0048	0.0052	0.072
Brugia malayi	beta-lactamase family protein	0.0071	0.0089	0.1218
Echinococcus multilocularis	cysteine protease	0.0015	0.000005076	0.0000088002
Echinococcus multilocularis	cathepsin b	0.0139	0.0195	0.0338
Echinococcus granulosus	caspase	0.0106	0.0143	0.0249
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0071	0.0089	0.0095
Trypanosoma brucei	Metacaspase-4	0.0028	0.0021	0.1698
Trypanosoma brucei	metacaspase MCA3	0.0028	0.0021	0.1698
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0446	0.0682	0.0733
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0028	0.0021	0.0283
Echinococcus granulosus	cathepsin b	0.0139	0.0195	0.0338
Plasmodium vivax	metacaspase 1, putative	0.0028	0.0021	0.0283
Onchocerca volvulus		0.0071	0.0089	0.1301
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0092	0.0121	0.1781
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0089	0.2602
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.6339	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0048	0.0052	0.4314
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0	0.0002
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0446	0.0682	0.1182
Brugia malayi	Cathepsin L-like precursor	0.0015	0.000005076	0.0001
Plasmodium falciparum	metacaspase 1	0.0028	0.0021	0.0283
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0021	0.0283
Plasmodium vivax	hypothetical protein, conserved	0.0446	0.0682	0.9361
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0139	0.0195	0.0389
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0446	0.0682	0.1359
Echinococcus granulosus	cathepsin b	0.0139	0.0195	0.0338
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0605
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0071	0.0089	0.0095
Onchocerca volvulus		0.0071	0.0089	0.1301
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0022	0.03
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0048	0.0052	0.1536
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0077	0.0098	0.017
Loa Loa (eye worm)	beta-lactamase	0.0071	0.0089	0.1218
Echinococcus multilocularis	cathepsin L cysteine protease	0.0015	0.000005076	0.0000088002
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0682	0.9361
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.0002
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0	0.0002
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0446	0.0682	0.1182
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0139	0.0195	0.0389
Giardia lamblia	Kinesin-5	0.0476	0.0728	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.002	0.0035
Trypanosoma cruzi	metacaspase, putative	0.0028	0.0021	0.0302
Echinococcus multilocularis		0.0446	0.0682	0.1182
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0605
Brugia malayi	Pre-SET motif family protein	0.0029	0.0022	0.03
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0446	0.0682	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0021	0.0284
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.0089	0.1301
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0106	0.0143	0.0249
Echinococcus granulosus	epidermal growth factor receptor	0.0077	0.0098	0.017
Mycobacterium ulcerans	dehydrogenase	0.0446	0.0682	0.0598
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0015	0.000005076	0.0000088002
Mycobacterium tuberculosis	Conserved protein	0.0071	0.0089	0.0095
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0139	0.0195	0.0389
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0022	0.0044
Brugia malayi	beta-lactamase	0.0071	0.0089	0.1218
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0	0.0002
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0121	0.0242
Brugia malayi	amine oxidase, flavin-containing family protein	0.0446	0.0682	0.9361
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0456	0.0697	0.075
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.0089	0.1301
Trypanosoma cruzi	metacaspase 5, putative	0.0028	0.0021	0.0302
Mycobacterium tuberculosis	Conserved protein	0.0071	0.0089	0.0095
Trypanosoma brucei	polo-like protein kinase	0.0092	0.0121	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0092	0.0121	0.0211
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.0013
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0106	0.0143	0.0249
Trypanosoma brucei	metacaspase	0.0028	0.0021	0.1698
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.1218
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0139	0.0195	0.2859
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.1218
Trypanosoma cruzi	metacaspase, putative	0.0028	0.0021	0.0302
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.0089	0.0177
Onchocerca volvulus		0.0029	0.0022	0.032
Echinococcus multilocularis	cathepsin L cysteine protease	0.0015	0.000005076	0.0000088002
Echinococcus granulosus	cathepsin L cysteine protease	0.0015	0.000005076	0.0000088002
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0071	0.0089	0.0154
Mycobacterium tuberculosis	Probable lipase LipD	0.0071	0.0089	0.0095
Schistosoma mansoni	caspase-3 (C14 family)	0.0106	0.0143	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0682	0.9361
Brugia malayi	serine/threonine-protein kinase plk-2	0.0092	0.0121	0.1668
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0446	0.0682	1
Trypanosoma cruzi	metacaspase 5, putative	0.0028	0.0021	0.0302
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.0089	0.2602
Schistosoma mansoni	tyrosine kinase	0.0077	0.0098	0.0196
Onchocerca volvulus	Cell death protein 3 homolog	0.0028	0.0021	0.0302
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0092	0.0121	0.0211
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.0121	0.1781
Loa Loa (eye worm)	fibroinase	0.0015	0.000005076	0.0001
Brugia malayi	Papain family cysteine protease containing protein	0.0015	0.000005076	0.0001
Echinococcus granulosus	caspase 8	0.0028	0.0021	0.0036
Mycobacterium tuberculosis	Probable lipase LipE	0.0071	0.0089	0.0095
Schistosoma mansoni	tyrosine kinase	0.0046	0.0049	0.0097
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0071	0.0089	0.1218
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0028	0.0021	0.0041
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Echinococcus granulosus	cathepsin l1	0.0015	0.000005076	0.0000088002
Trypanosoma cruzi	metacaspase, putative	0.0028	0.0021	0.0302
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0682	0.9361
Brugia malayi	Isocitrate dehydrogenase	0.0015	0	0.0003
Echinococcus multilocularis	cysteine protease	0.0015	0.000005076	0.0000088002
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0049	0.0668
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.0121	0.3561
Toxoplasma gondii	cathepsin B	0.0048	0.0052	0.0719
Schistosoma mansoni	caspase-7 (C14 family)	0.0106	0.0143	0.0286
Echinococcus granulosus	cysteine protease	0.0015	0.000005076	0.0000088002
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0682	0.9361
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0048	0.0052	0.0768
Toxoplasma gondii	histone lysine-specific demethylase	0.0446	0.0682	0.9361
Schistosoma mansoni	amine oxidase	0.0446	0.0682	0.1359
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0446	0.0682	0.9361
Echinococcus multilocularis	kinesin family 1	0.3663	0.5768	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.0121	0.1781
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0446	0.0682	1
Mycobacterium ulcerans	monoamine oxidase	0.0446	0.0682	0.0598
Schistosoma mansoni	hypothetical protein	0.3187	0.5016	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0028	0.0021	0.0041
Echinococcus granulosus	caspase 3	0.0078	0.0099	0.0171
Echinococcus multilocularis	cathepsin L	0.0015	0.000005076	0.0000088002
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0476	0.0728	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0	0.0002
Echinococcus granulosus	beta LACTamase domain containing family member	0.0071	0.0089	0.0154
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0446	0.0682	0.0598
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0048	0.1404
Echinococcus multilocularis	epidermal growth factor receptor	0.0144	0.0204	0.0353
Brugia malayi	Cathepsin L-like precursor	0.0015	0.000005076	0.0001
Echinococcus granulosus	kinesin family 1	0.3663	0.5768	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.5892	0.9294	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0015	0.000005076	0.0001
Schistosoma mansoni	kinesin eg-5	0.0476	0.0728	0.1452
Brugia malayi	Cathepsin L-like precursor	0.0015	0.000005076	0.0001
Trypanosoma brucei	metacaspase MCA2	0.0028	0.0021	0.1698
Echinococcus multilocularis	caspase 3	0.0078	0.0099	0.0171
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0015	0.000005076	0.0000088002
Mycobacterium ulcerans	oxidoreductase	0.0446	0.0682	0.0598
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0015	0.000005076	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0022	0.03
Giardia lamblia	Kinase, PLK	0.0092	0.0121	0.1021
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0028	0.0021	0.0283
Echinococcus multilocularis		0.0045	0.0046	0.008
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0682	0.9361
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.0297	0.4073
Brugia malayi	SWIRM domain containing protein	0.0446	0.0682	0.9361
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0605
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0446	0.0682	0.1359
Brugia malayi	beta-lactamase family protein	0.0071	0.0089	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0195	0.2677
Plasmodium vivax	hypothetical protein, conserved	0.0446	0.0682	0.9361
Schistosoma mansoni	tyrosine kinase	0.0144	0.0204	0.0406
Leishmania major	UDP-galactopyranose mutase	0.0446	0.0682	1
Leishmania major	hypothetical protein, conserved	0.0071	0.0089	0.1301
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0605
Mycobacterium tuberculosis	Possible oxidoreductase	0.0446	0.0682	0.0733
Brugia malayi	Cathepsin L-like precursor	0.0015	0.000005076	0.0001
Schistosoma mansoni	tyrosine kinase	0.0046	0.0049	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0089	0.1218
Brugia malayi	Pre-SET motif family protein	0.0203	0.0297	0.4073
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0144	0.0204	0.2797
Brugia malayi	Furin-like cysteine rich region family protein	0.0144	0.0204	0.2797
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.079	0.1226	0.2125
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0028	0.0021	0.0605
Mycobacterium tuberculosis	Probable esterase LipL	0.0071	0.0089	0.0095
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0	0.0013

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.6 uM	Inhibition of mouse recombinant soluble Epoxide hydrolase	ChEMBL.	16908134
IC50 (binding)	= 1.6 uM	Inhibition of mouse recombinant soluble Epoxide hydrolase	ChEMBL.	16908134
IC50 (binding)	= 21 uM	Inhibition of human recombinant soluble Epoxide hydrolase	ChEMBL.	16908134
IC50 (binding)	= 21 uM	Inhibition of human recombinant soluble Epoxide hydrolase	ChEMBL.	16908134
Solubility	> 500 uM	Solubility in sodium phosphate buffer at pH 7.4	ChEMBL.	16908134

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: CHEMBL264591

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 409751