TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.37 | Formula: C21H29BrN2O4
H donors: 3 H acceptors: 3 LogP: 0.83 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCC(O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)NCc1ccccc1Br)C(=O)O)CC
InChi: 1S/C21H29BrN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/m0/s1
InChiKey: DVNHMULOEBCOQF-XUVXKRRUSA-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
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References
Influenza A virus (strain A/USSR/90/1977 H1N1)	Neuraminidase	Starlite/ChEMBL	References
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	Get druggable targets OG5_127571	All targets in OG5_127571
Entamoeba histolytica	protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Onchocerca volvulus		Get druggable targets OG5_127571	All targets in OG5_127571
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma congolense	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	ubiquitin conjugating enzyme 13	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Cryptosporidium hominis	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Leishmania braziliensis	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	post-replication repair	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania major	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	Get druggable targets OG5_127571	All targets in OG5_127571
Trypanosoma brucei	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	Get druggable targets OG5_127571	All targets in OG5_127571
Trypanosoma brucei gambiense	ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Theileria parva	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Babesia bovis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	Ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene	Get druggable targets OG5_127571	All targets in OG5_127571
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium knowlesi	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium berghei	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Neospora caninum	Ubiquitin carrier protein (EC 6.3.2.-), related	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Cryptosporidium parvum	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania infantum	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	C terminus of potential Low molecular weight phosphoTyrosine Phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Leishmania mexicana	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Entamoeba histolytica	protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Schistosoma japonicum	ko:K10580 ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739

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	0.0015	0.0008	0.0008
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Brugia malayi	Cation transporter family protein	0.0019	0.01	0.0092
Schistosoma mansoni	atypical protein kinase C	0.0029	0.0344	0.0344
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0059	0.0051
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0019	0.01	0.0092
Brugia malayi	p70 ribosomal S6 kinase beta	0.0017	0.0059	0.0051
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0019	0.01	0.01
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0043	0.0689	0.1896
Echinococcus granulosus	ecdysone induced protein 78C	0.0015	0.0008	0.0008
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0059	0.0051
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0046	0.0754	0.0746
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0156	0.3381	1
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.023	0.5136	0.5136
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0046	0.0754	0.008
Brugia malayi	Carboxylesterase family protein	0.0134	0.2849	0.2843
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0019	0.01	0.01
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0689	0.1917
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0017	0.0059	0.0059
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0156	0.3381	1
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0156	0.3381	0.3376
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0023	0.0195	0.0235
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.0059	0.0059
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0019	0.01	0.01
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0019	0.01	0.01
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0043	0.0689	0.0689
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0689	0.1896
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0046	0.0754	0.2092
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0019	0.01	0.01
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0689	0.1917
Echinococcus granulosus	nmda type glutamate receptor	0.0027	0.0299	0.0299
Onchocerca volvulus		0.0019	0.01	0.01
Echinococcus multilocularis	protein kinase c epsilon type	0.0031	0.0403	0.0403
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0853	0.0853
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0059	0.0059
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0773	0.0766
Echinococcus granulosus	protein kinase c epsilon type	0.0031	0.0403	0.0403
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0156	0.3381	0.3381
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0059	0.0059
Echinococcus granulosus	glycine receptor subunit beta	0.0019	0.01	0.01
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.0059	0.0059
Echinococcus granulosus	Protein kinase C brain isozyme	0.0109	0.2263	0.2263
Echinococcus granulosus	protein kinase c iota type	0.0029	0.0344	0.0344
Schistosoma mansoni	retinoic acid receptor RXR	0.0015	0.0008	0.0008
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Onchocerca volvulus		0.0023	0.0195	0.0195
Schistosoma mansoni	hypothetical protein	0.0047	0.0773	0.0773
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0043	0.0689	0.0689
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0689	0.1917
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0689	0.0689
Echinococcus granulosus	para nitrobenzyl esterase	0.0023	0.0195	0.0195
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0019	0.01	0.01
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0853	0.0853
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0078	0.1516	0.1516
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0043	0.0689	0.9061
Trypanosoma brucei	Sterol methyltransferase, putative	0.0384	0.8815	1
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0043	0.0689	0.9061
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0008	0.0008
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0195	0.0195
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0853	0.0853
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0015	0.0008	0.0008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0689	0.1917
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0017	0.0059	0.0059
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0853	0.0853
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0019	0.01	0.01
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0031	0.0403	0.0403
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0046	0.0754	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0109	0.2263	0.2263
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0043	0.0689	0.0689
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0754	0.008
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0134	0.2849	0.2849
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0019	0.01	0.01
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0059
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0015	0.0008	0.0008
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.0008	0.0008
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0403	0.0403
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Onchocerca volvulus		0.0023	0.0195	0.0195
Trypanosoma cruzi	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0689	0.1917
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0017	0.0059	0.0059
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0019	0.01	0.01
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0773	0.0773
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0156	0.3381	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0017	0.0059	0.0059
Brugia malayi	S-adenosyl-methionine cycloartenol-C24-methyltransferase	0.0187	0.412	0.4115
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0046	0.0754	0.0754
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0015	0.0008	0.0008
Loa Loa (eye worm)	ACC-1 protein	0.0019	0.01	0.01
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0017	0.0059	0.0059
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0019	0.01	0.0092
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0015	0.0008	0.0008
Schistosoma mansoni	serine/threonine protein kinase	0.0109	0.2263	0.2263
Echinococcus granulosus	NDR protein kinase	0.0017	0.0059	0.0059
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0019	0.01	0.0092
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0015	0.0008	0.0008
Brugia malayi	Cation transporter family protein	0.0019	0.01	0.0092
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0019	0.01	0.01
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Echinococcus multilocularis	para nitrobenzyl esterase	0.0023	0.0195	0.0195
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0015	0.0008	0.0008
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0017	0.0059	0.0059
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0017	0.0059	0.0059
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.01	0.0092
Onchocerca volvulus		0.0019	0.01	0.01
Brugia malayi	hypothetical protein	0.0023	0.0195	0.0187
Trypanosoma brucei	sterol 24-c-methyltransferase, putative	0.02	0.4433	0.4995
Loa Loa (eye worm)	steroid hormone receptor	0.0015	0.0008	0.0008
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0689	0.0719
Brugia malayi	Carboxylesterase family protein	0.0023	0.0195	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2849	0.2849
Echinococcus granulosus	neuroligin	0.0023	0.0195	0.0195
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0019	0.01	0.0092
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0689	0.1917
Brugia malayi	excitatory GABA receptor EXP-1A	0.0019	0.01	0.0092
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0015	0.0008	0.0008
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0008	0.0008
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0019	0.01	0.0092
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0019	0.01	0.01
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0156	0.3381	1
Brugia malayi	Hr1 repeat family protein	0.0017	0.0059	0.0051
Onchocerca volvulus		0.0043	0.0689	0.0689
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0015	0.0008	0.0008
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0156	0.3381	1
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0046	0.0754	1
Chlamydia trachomatis	glutamine binding protein	0.0019	0.0119	0.5
Echinococcus multilocularis	glycine receptor subunit beta	0.0019	0.01	0.01
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Schistosoma mansoni	acetylcholinesterase	0.0023	0.0195	0.0195
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0043	0.0689	0.1917
Loa Loa (eye worm)	ACC-1 protein	0.0019	0.01	0.01
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0019	0.0119	0.5
Brugia malayi	Protein kinase c protein 2	0.0093	0.1869	0.1862
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0689	0.1917
Onchocerca volvulus		0.0023	0.0195	0.0195
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0043	0.0689	0.9061
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0081	0.1584	0.1584
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.01	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.009	0.1801	0.1801
Brugia malayi	Cation transporter family protein	0.0019	0.01	0.0092
Onchocerca volvulus		0.0019	0.01	0.01
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0015	0.0008	0.0008
Onchocerca volvulus	Putative nachr subunit	0.0019	0.01	0.01
Loa Loa (eye worm)	carboxylesterase	0.0134	0.2849	0.2849
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Schistosoma mansoni	coup transcription factor	0.0015	0.0008	0.0008
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0019	0.01	0.01
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0019	0.01	0.01
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0019	0.01	0.01
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0046	0.0754	0.0754
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0015	0.0008	0.0008
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0043	0.0689	0.0719
Echinococcus granulosus	acetylcholinesterase	0.0134	0.2849	0.2849
Onchocerca volvulus		0.0015	0.0008	0.0008
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0015	0.0008	0.0008
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0156	0.3381	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0754	0.2113
Brugia malayi	Carboxylesterase family protein	0.0023	0.0195	0.0187
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0017	0.0059	0.0059
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0023	0.0195	0.0195
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0434	1	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0078	0.1516	0.1516
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0019	0.01	0.01
Loa Loa (eye worm)	LGC-31 protein	0.0019	0.01	0.01
Echinococcus granulosus	vesicular acetylcholine transporter	0.0434	1	1
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0043	0.0689	0.0689
Echinococcus granulosus	acetylcholinesterase	0.0134	0.2849	0.2849
Schistosoma mansoni	serine/threonine protein kinase	0.0109	0.2263	0.2263
Echinococcus multilocularis	glycine receptor subunit beta	0.0019	0.01	0.01
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0017	0.0059	0.0059
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.01	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Echinococcus multilocularis	RNA directed DNA polymerase	0.0078	0.1516	0.1516
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0043	0.0689	0.0689
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0015	0.0008	0.0008
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0017	0.0059	0.0059
Brugia malayi	Synaptic glycoprotein SC2	0.0043	0.0689	0.0681
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0195	0.0195
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Echinococcus granulosus	nAChR subunit	0.0019	0.01	0.01
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0015	0.0008	0.0008
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0195	0.0235
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0019	0.01	0.01
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0008	0.0008
Echinococcus granulosus	FTZ F1 alpha	0.0015	0.0008	0.0008
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.5136	0.5136
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.01	0.0092
Echinococcus granulosus	glycine receptor subunit beta	0.0019	0.01	0.01
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0027	0.0299	0.0299
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0019	0.01	0.01
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0017	0.0059	0.0059
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0019	0.01	0.01
Brugia malayi	protein kinase C II.	0.0031	0.0403	0.0395
Brugia malayi	Carboxylesterase family protein	0.0023	0.0195	0.0187
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0015	0.0008	0.0008
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0046	0.0754	1
Echinococcus multilocularis	FTZ F1 alpha	0.0015	0.0008	0.0008
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0043	0.0689	0.1896
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0019	0.01	0.01
Onchocerca volvulus	Protein ultraspiracle homolog	0.0015	0.0008	0.0008
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0019	0.01	0.01
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0017	0.0059	0.0059
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0019	0.01	0.0092
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Echinococcus multilocularis	carboxylesterase 5A	0.0134	0.2849	0.2849
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0015	0.0008	0.0008
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0019	0.01	0.0092
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.01	0.0092
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0689	0.0689
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0019	0.01	0.01
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0156	0.3381	1
Onchocerca volvulus		0.0156	0.3381	0.3381
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0019	0.01	0.01
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0019	0.01	0.0092
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0017	0.0059	0.0059
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.0008	0.0008
Leishmania major	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0059	0.0026
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.0754	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0853	0.0853
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0.01	0.0092
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0019	0.01	0.01
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Brugia malayi	hypothetical protein	0.023	0.5136	0.5132
Onchocerca volvulus		0.0047	0.0773	0.0773
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0689	0.1748
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0019	0.0119	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0019	0.01	0.01
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0754	0.008
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0156	0.3381	1
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0008	0.0008
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0689	0.0689
Brugia malayi	Carboxylesterase family protein	0.0134	0.2849	0.2843
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Echinococcus multilocularis	acetylcholinesterase	0.0134	0.2849	0.2849
Onchocerca volvulus		0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Onchocerca volvulus		0.0023	0.0195	0.0195
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0059	0.0059
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0023	0.0195	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Schistosoma mansoni	vesicular acetylcholine transporter	0.0434	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0853	0.0853
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0017	0.0059	0.0059
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0059	0.0051
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0019	0.01	0.01
Echinococcus granulosus	serine:threonine protein kinase N2	0.0017	0.0059	0.0059
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0853	0.0853
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0015	0.0008	0.0008
Onchocerca volvulus		0.0019	0.01	0.01
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0019	0.01	0.0092
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0023	0.0195	0.0195
Echinococcus granulosus	protein kinase C gamma type	0.0097	0.1978	0.1978
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0156	0.3381	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Trichomonas vaginalis	spcc417.12 protein, putative	0.0023	0.0195	0.0436
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0043	0.0689	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Brugia malayi	Carboxylesterase family protein	0.0023	0.0195	0.0187
Onchocerca volvulus	Bile acid receptor homolog	0.0015	0.0008	0.0008
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0046	0.0754	0.0746
Echinococcus granulosus	synaptic glycoprotein sc2	0.0043	0.0689	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0195	0.0195
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0019	0.01	0.01
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0043	0.0689	0.1896
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0019	0.0119	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.0754	0.0754
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Schistosoma mansoni	nAChR subunit	0.0019	0.01	0.01
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0853	0.0845
Schistosoma mansoni	RAR-like nuclear receptor	0.0015	0.0008	0.0008
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0019	0.01	0.0092
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0015	0.0008	0.0008
Echinococcus multilocularis	nAChR subunit	0.0019	0.01	0.01
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.5136	0.5136
Schistosoma mansoni	serine/threonine kinase	0.0017	0.0059	0.0059
Echinococcus multilocularis	nmda type glutamate receptor	0.0027	0.0299	0.0299
Echinococcus multilocularis	acetylcholinesterase	0.0134	0.2849	0.2849
Onchocerca volvulus		0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1516	0.1516
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0187	0.412	0.412
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0156	0.3381	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0019	0.01	0.01
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0046	0.0754	0.0754
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0046	0.0754	0.0794
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0853	0.0853
Echinococcus granulosus	BC026374 protein S09 family	0.0023	0.0195	0.0195
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0754	0.2113
Echinococcus multilocularis	protein kinase c iota type	0.0029	0.0344	0.0344
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0156	0.3381	1
Onchocerca volvulus		0.0019	0.01	0.01
Echinococcus multilocularis	ecdysone induced protein 78C	0.0015	0.0008	0.0008
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Mycobacterium ulcerans	carboxylesterase, LipT	0.0023	0.0195	0.0235
Leishmania major	sterol 24-c-methyltransferase, putative	0.0384	0.8815	1
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0434	1	1
Echinococcus multilocularis	neuroligin	0.0023	0.0195	0.0195
Schistosoma mansoni	BC026374 protein (S09 family)	0.0023	0.0195	0.0195
Echinococcus multilocularis	serine threonine protein kinase	0.0097	0.1978	0.1978
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0015	0.0008	0.0008
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0015	0.0008	0.0008
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0043	0.0689	0.1917
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0195	0.0235
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2849	0.2849
Loa Loa (eye worm)	acetylcholinesterase 1	0.0134	0.2849	0.2849
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0434	1	1
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0019	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0015	0.0008	0.0008
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0019	0.01	0.01
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0059	0.0059
Schistosoma mansoni	gliotactin	0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0019	0.01	0.01
Echinococcus granulosus	carboxylesterase 5A	0.0134	0.2849	0.2849
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0023	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0008

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.013 uM	Inhibition of Influenza A virus A/chicken/china/1220/2012(H5N1) Neuraminidase N1	ChEMBL.	25255388
IC50 (binding)	= 0.038 uM	Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase	ChEMBL.	25255388
IC50 (binding)	= 0.042 uM	Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase	ChEMBL.	25255388
IC50 (binding)	= 0.056 uM	Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase	ChEMBL.	25255388
IC50 (binding)	= 1.15 uM	Inhibition of Influenza A virus A/chicken/china/415/2013(H9N2) Neuraminidase N2	ChEMBL.	25255388

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: CHEMBL3342475

Bibliographic References

No literature references available for this target.

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Detailed information for compound 934530