TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.59 | Formula: C23H32N4O3S
H donors: 1 H acceptors: 4 LogP: 3.24 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC(CC1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C)NC1CCCCC1
InChi: 1S/C23H32N4O3S/c1-17-16-22(27(25-17)20-8-10-21(11-9-20)31(2,29)30)18-12-14-26(15-13-18)23(28)24-19-6-4-3-5-7-19/h8-11,16,18-19H,3-7,12-15H2,1-2H3,(H,24,28)
InChiKey: SCQUKGFLWYFSFD-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	No 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
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0197	0.3015	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0055	0.0168	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Plasmodium falciparum	malate dehydrogenase	0.0319	0.5451	1
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0051	0.0071	0.008
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0124	0.1545	0.1815
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0093	0.0106
Echinococcus granulosus	lactate dehydrogenase protein	0.0319	0.5451	0.545
Loa Loa (eye worm)	carbonic anhydrase 3	0.0471	0.8497	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0284	0.033
Loa Loa (eye worm)	hypothetical protein	0.0255	0.4169	0.4904
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0255	0.4169	0.4904
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0051	0.0071	0.008
Echinococcus multilocularis	L lactate dehydrogenase	0.0195	0.2965	0.2963
Echinococcus granulosus	carbonic anhydrase	0.0255	0.4169	0.4167
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0124	0.1542	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Schistosoma mansoni	malate dehydrogenase	0.0124	0.1542	0.1812
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0124	0.1542	0.1539
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0284	0.033
Leishmania major	cytosolic malate dehydrogenase	0.0124	0.1542	0.165
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0124	0.1542	0.4826
Schistosoma mansoni	carbonic anhydrase-related	0.0255	0.4169	0.4904
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0284	0.033
Trypanosoma brucei	carbonic anhydrase-like protein	0.0471	0.8497	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0319	0.5451	0.545
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0471	0.8497	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0051	0.0071	0.0068
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0051	0.0071	0.008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0051	0.0071	0.008
Loa Loa (eye worm)	hypothetical protein	0.0255	0.4169	0.4904
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0051	0.0071	0.008
Leishmania major	malate dehydrogenase, putative	0.0319	0.5451	0.6343
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0051	0.0071	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0124	0.1542	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0124	0.1542	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Echinococcus granulosus	carbonic anhydrase II	0.0471	0.8497	0.8496
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0051	0.0071	0.008
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0124	0.1545	0.1815
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0051	0.0071	0.0068
Toxoplasma gondii	malate dehydrogenase MDH	0.0319	0.5451	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0051	0.0071	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0051	0.0071	0.008
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0051	0.0071	0.008
Echinococcus granulosus	glycine receptor subunit beta	0.0051	0.0071	0.0068
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0051	0.0071	0.008
Loa Loa (eye worm)	malate dehydrogenase	0.0124	0.1542	0.1812
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0051	0.0071	0.008
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0255	0.4169	0.4904
Brugia malayi	Cation transporter family protein	0.0124	0.1545	0.1815
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0124	0.1542	0.1757
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.1146	0.3436
Schistosoma mansoni	malate dehydrogenase	0.0124	0.1542	0.1812
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0051	0.0071	0.008
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0051	0.0071	0.008
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0255	0.4169	0.4904
Echinococcus granulosus	lactate dehydrogenase a	0.0319	0.5451	0.545
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.1146	0.3436
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Echinococcus multilocularis	carbonic anhydrase	0.0255	0.4169	0.4167
Echinococcus multilocularis	carbonic anhydrase	0.0255	0.4169	0.4167
Echinococcus multilocularis	glycine receptor subunit beta	0.0051	0.0071	0.0068
Trypanosoma cruzi	malate dehydrogenase, putative	0.0124	0.1542	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Leishmania major	malate dehydrogenase, putative	0.0124	0.1542	0.165
Loa Loa (eye worm)	hypothetical protein	0.0319	0.5451	0.6414
Brugia malayi	excitatory GABA receptor EXP-1A	0.0051	0.0071	0.008
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0051	0.0071	0.0068
Echinococcus multilocularis	nAChR subunit	0.0051	0.0071	0.0068
Loa Loa (eye worm)	ACC-1 protein	0.0051	0.0071	0.008
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0284	0.0281
Echinococcus multilocularis	malate dehydrogenase	0.0124	0.1542	0.1539
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0319	0.5451	0.545
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0051	0.0071	0.0068
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0051	0.0071	0.008
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0124	0.1542	0.1757
Echinococcus multilocularis	carbonic anhydrase	0.0255	0.4169	0.4167
Onchocerca volvulus		0.0124	0.1545	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Schistosoma mansoni	L-lactate dehydrogenase	0.0124	0.1542	0.1812
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Mycobacterium ulcerans	malate dehydrogenase	0.0124	0.1542	0.4826
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0471	0.8497	1
Echinococcus granulosus	carbonic anhydrase	0.0255	0.4169	0.4167
Loa Loa (eye worm)	malate dehydrogenase	0.0124	0.1542	0.1812
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Schistosoma mansoni	carbonic anhydrase-related	0.0255	0.4169	0.4904
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0471	0.8497	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1545	0.1815
Echinococcus multilocularis	lactate dehydrogenase protein	0.0319	0.5451	0.545
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0124	0.1542	0.1757
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0124	0.1542	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.4908	0.5747
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0124	0.1542	0.1539
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0051	0.0071	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0051	0.0071	0.0068
Leishmania major	glycosomal malate dehydrogenase	0.0124	0.1542	0.165
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1826	0.1991
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Echinococcus granulosus	malate dehydrogenase	0.0124	0.1542	0.1539
Schistosoma mansoni	carbonic anhydrase	0.0255	0.4169	0.4904
Echinococcus multilocularis	lactate dehydrogenase a	0.0319	0.5451	0.545
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0471	0.8497	1
Leishmania major	mitochondrial malate dehydrogenase	0.0124	0.1542	0.165
Echinococcus granulosus	lactate dehydrogenase a	0.0319	0.5451	0.545
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0284	0.033
Onchocerca volvulus		0.0124	0.1545	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0292	0.4908	0.484
Mycobacterium tuberculosis	Probable reductase	0.0104	0.1146	0.3436
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0124	0.1542	0.1539
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0051	0.0071	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0051	0.0071	0.0068
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0051	0.0071	0.008
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0051	0.0071	0.008
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0124	0.1542	0.1812
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.2139	0.6921
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0051	0.0071	0.008
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0051	0.0071	0.008
Echinococcus granulosus	nAChR subunit	0.0051	0.0071	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Brugia malayi	TAR-binding protein	0.0061	0.0284	0.033
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.4908	0.5747
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0051	0.0071	0.008
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0124	0.1542	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0051	0.0071	0.0068
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0051	0.0071	0.0068
Echinococcus granulosus	carbonic anhydrase	0.0255	0.4169	0.4167
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0051	0.0071	0.0068
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Plasmodium falciparum	L-lactate dehydrogenase	0.0319	0.5451	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0284	0.033
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0284	0.033
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1545	0.1815
Plasmodium falciparum	carbonic anhydrase	0.0255	0.4169	0.6719
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0471	0.8497	1
Brugia malayi	lactate dehydrogenase.	0.0319	0.5451	0.6414
Onchocerca volvulus		0.0124	0.1545	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0255	0.4169	0.4904
Loa Loa (eye worm)	LGC-31 protein	0.0051	0.0071	0.008
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0051	0.0071	0.0068
Echinococcus granulosus	L lactate dehydrogenase	0.0195	0.2965	0.2963
Chlamydia trachomatis	malate dehydrogenase	0.0124	0.1542	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0284	0.033
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0284	0.0281
Schistosoma mansoni	L-lactate dehydrogenase	0.0319	0.5451	0.6414
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0197	0.3015	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0051	0.0071	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1077	0.1264
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0051	0.0071	0.0068
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0051	0.0071	0.0068
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0138	0.1826	0.0408
Schistosoma mansoni	malate dehydrogenase	0.0319	0.5451	0.6414
Schistosoma mansoni	carbonic anhydrase-related	0.0255	0.4169	0.4904
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1826	0.2094
Brugia malayi	RNA binding protein	0.0061	0.0284	0.033
Plasmodium vivax	lactate dehydrogenase	0.0319	0.5451	1
Echinococcus granulosus	malate dehydrogenase	0.0124	0.1542	0.1539
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0124	0.1542	0.1757
Echinococcus multilocularis	glycine receptor subunit beta	0.0051	0.0071	0.0068
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0055	0.0168	0.0194
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0319	0.5451	0.545
Brugia malayi	Cation transporter family protein	0.0051	0.0071	0.008
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0051	0.0071	0.008
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0051	0.0071	0.008
Giardia lamblia	Malate dehydrogenase	0.0124	0.1542	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0051	0.0071	0.0068
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.1146	0.3436
Leishmania major	mitochondrial DNA polymerase beta	0.0292	0.4908	0.5692
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0319	0.5451	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0255	0.4169	0.4904
Leishmania major	carbonic anhydrase-like protein	0.0471	0.8497	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.0168	0.0194
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0051	0.0071	0.0068
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0051	0.0071	0.008
Echinococcus multilocularis	malate dehydrogenase	0.0124	0.1542	0.1539
Mycobacterium ulcerans	hypothetical protein	0.0154	0.2139	0.6921
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0124	0.1542	0.1812
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0051	0.0071	0.0068
Loa Loa (eye worm)	ACC-1 protein	0.0051	0.0071	0.008
Schistosoma mansoni	malate dehydrogenase	0.0124	0.1542	0.1812
Echinococcus multilocularis	lactate dehydrogenase a	0.0319	0.5451	0.545
Echinococcus granulosus	glycine receptor subunit beta	0.0051	0.0071	0.0068
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0284	0.033
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0051	0.0071	0.0068
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Plasmodium vivax	malate dehydrogenase, putative	0.0319	0.5451	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.1379	0.4255
Loa Loa (eye worm)	hypothetical protein	0.0255	0.4169	0.4904
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0319	0.5451	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0284	0.033
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0255	0.4169	0.4904
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0124	0.1542	0.1757
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.1146	0.3436
Brugia malayi	Cation transporter family protein	0.0051	0.0071	0.008
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0055	0.0168	0.0165
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0051	0.0071	0.0068
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0319	0.5451	1
Trypanosoma cruzi	malate dehydrogenase, putative	0.0124	0.1542	0.1757
Trichomonas vaginalis	malate dehydrogenase, putative	0.0124	0.1542	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0319	0.5451	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.1379	0.5893
Toxoplasma gondii	hypothetical protein	0.0255	0.4169	0.7647
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0471	0.8497	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.008
Echinococcus multilocularis	carbonic anhydrase II	0.0471	0.8497	0.8496
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0051	0.0071	0.0068
Schistosoma mansoni	hypothetical protein	0.0255	0.4169	0.4904
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0051	0.0071	0.008
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0051	0.0071	0.008
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0546	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.1379	0.4255
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0124	0.1542	0.1539
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0051	0.0071	0.008
Schistosoma mansoni	nAChR subunit	0.0051	0.0071	0.008
Leishmania major	malate dehydrogenase	0.0124	0.1542	0.165
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0471	0.8497	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.1379	0.4255
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.1146	0.3436

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.471 uM	Inhibition of human recombinant soluble epoxide hydrolase using (3-phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphtalen-2-yl)-methyl ester as substrate incubated for 15 mins prior to substrate addition by fluorescence assay	ChEMBL.	No reference
Inhibition (binding)	= 113.97 %	Inhibition of human recombinant soluble epoxide hydrolase using (3-phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphtalen-2-yl)-methyl ester as substrate at 100 uM incubated for 15 mins prior to substrate addition by fluorescence assay	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: CHEMBL2424981

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1787795