TDR Targets

Basic information

Technical information

TDR Targets ID: 1588551
Name: 3-bromo-4-methyl-N-(phenylmethylcarbamothioyl )benzamide
MW: 363.272 | Formula: C16H15BrN2OS
H donors: 2 H acceptors: 1 LogP: 4.51 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S=C(NC(=O)c1ccc(c(c1)Br)C)NCc1ccccc1
InChi: 1S/C16H15BrN2OS/c1-11-7-8-13(9-14(11)17)15(20)19-16(21)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChiKey: WYYYKNFOMNGXLG-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

3-bromo-4-methyl-N-[(phenylmethylamino)-thioxomethyl]benzamide
N-(benzylthiocarbamoyl)-3-bromo-4-methyl-benzamide
N-benzyl-N'-(3-bromo-4-methylbenzoyl)thiourea
SMR000477124
AN-329/41561819
ARONIS006122
STK126051
MLS001178851

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0082	0.1876	0.1484
Echinococcus granulosus	glutamate receptor 2	0.0073	0.1491	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Treponema pallidum	heat shock protein 90	0.0091	0.2247	0.5
Schistosoma mansoni	nAChR subunit	0.0068	0.1299	0.0987
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0792	0.039
Plasmodium falciparum	endoplasmin, putative	0.007	0.1401	0.345
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0792	0.0792
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.1299	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0068	0.1299	0.1299
Trichomonas vaginalis	heat shock protein, putative	0.0091	0.2247	0.655
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0147	0.449	0.449
Onchocerca volvulus	Huntingtin homolog	0.0118	0.3335	0.3013
Echinococcus granulosus	endoplasmin	0.0091	0.2247	0.1873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0792	0.039
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Plasmodium vivax	heat shock protein 86, putative	0.0115	0.3188	1
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0284	1	1
Echinococcus multilocularis	glutamate receptor 2	0.0073	0.1491	0.1081
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0147	0.449	0.4741
Echinococcus multilocularis	glycine receptor subunit beta	0.0147	0.449	0.4224
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0147	0.449	0.4741
Schistosoma mansoni	glutamate receptor kainate	0.0079	0.1765	0.1535
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0115	0.3188	1
Echinococcus granulosus	nmda type glutamate receptor	0.0185	0.6035	0.5844
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Schistosoma mansoni	acetylcholine receptor-related	0.0068	0.1299	0.0987
Echinococcus granulosus	nAChR subunit	0.0079	0.1757	0.136
Loa Loa (eye worm)	hypothetical protein	0.0215	0.7245	0.7245
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0147	0.449	0.4224
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1648	0.1648
Echinococcus multilocularis	nmda type glutamate receptor	0.0179	0.5762	0.5557
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0068	0.1299	0.0879
Trichomonas vaginalis	heat shock protein, putative	0.0115	0.3188	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0147	0.449	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3335	0.3335
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Brugia malayi	Cation transporter family protein	0.0215	0.7245	0.7245
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0147	0.449	0.449
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0079	0.1757	0.1526
Entamoeba histolytica	heat shock protein 90, putative	0.0115	0.3188	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0102	0.2675	0.2322
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0095	0.24	0.24
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0091	0.2235	0.2088
Echinococcus multilocularis	heat shock protein 90	0.0091	0.2247	0.1873
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0068	0.1299	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Trypanosoma cruzi	heat shock protein 85, putative	0.0115	0.3188	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0114	0.3146	0.2815
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Loa Loa (eye worm)	heat shock protein 90	0.0115	0.3188	0.3188
Plasmodium falciparum	heat shock protein 90	0.0115	0.3188	1
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Brugia malayi	hypothetical protein	0.0068	0.1299	0.1299
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Schistosoma mansoni	metabotropic glutamate receptor	0.0054	0.0746	0.0336
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Brugia malayi	hypothetical protein	0.0118	0.3335	0.3335
Brugia malayi	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0147	0.449	0.4224
Trichomonas vaginalis	heat shock protein, putative	0.007	0.1401	0.345
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0147	0.449	0.4224
Trypanosoma cruzi	heat shock protein 90, putative	0.0115	0.3188	1
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Schistosoma mansoni	nAChR subunit	0.0068	0.1299	0.0987
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0147	0.449	0.449
Trypanosoma cruzi	heat shock protein 90, putative	0.0091	0.2247	0.655
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0091	0.2247	0.1873
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0147	0.449	0.4224
Loa Loa (eye worm)	LGC-31 protein	0.0147	0.449	0.449
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0147	0.449	0.449
Schistosoma mansoni	hypothetical protein	0.0167	0.5284	0.5675
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0068	0.1299	0.0879
Brugia malayi	Cation transporter family protein	0.0147	0.449	0.449
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0792	0.039
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Loa Loa (eye worm)	glutamate receptor	0.0095	0.24	0.24
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Schistosoma mansoni	glutamate receptor NMDA	0.0189	0.6165	0.6711
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0284	1	1
Trichomonas vaginalis	endoplasmin, putative	0.007	0.1401	0.345
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0284	1	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0079	0.1757	0.1526
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0091	0.2247	0.5
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus granulosus	nmda type glutamate receptor	0.0179	0.5762	0.5557
Brugia malayi	Glutamate receptor 2 precursor	0.0079	0.1765	0.1765
Onchocerca volvulus		0.0215	0.7245	0.7112
Echinococcus granulosus	heat shock protein	0.0115	0.3188	0.286
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Echinococcus granulosus	glutamate receptor 2	0.0102	0.2675	0.2322
Brugia malayi	hypothetical protein	0.0068	0.1299	0.1299
Schistosoma mansoni	glutamate receptor kainate	0.0079	0.1765	0.1535
Echinococcus granulosus	glycine receptor subunit beta	0.0147	0.449	0.4224
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0147	0.449	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus multilocularis	glutamate receptor NMDA	0.0156	0.4851	0.4603
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0147	0.449	0.449
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1648	0.1648
Schistosoma mansoni	endoplasmin	0.0115	0.3188	0.321
Echinococcus multilocularis	endoplasmin	0.0091	0.2247	0.1873
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0091	0.2247	0.5
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Brugia malayi	Hsp90 protein	0.0047	0.046	0.046
Entamoeba histolytica	hypothetical protein	0.0079	0.1757	0.4755
Mycobacterium ulcerans	heat shock protein 90	0.0091	0.2247	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0215	0.7245	0.7982
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0792	0.0348
Schistosoma mansoni	metabotropic glutamate receptor	0.0082	0.1876	0.1666
Echinococcus multilocularis	heat shock protein	0.0115	0.3188	0.286
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Onchocerca volvulus		0.0147	0.449	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0148	0.4512	0.4512
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1648	0.1398
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0068	0.1299	0.1299
Brugia malayi	RNA binding protein	0.0076	0.1648	0.1648
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0082	0.1876	0.1484
Brugia malayi	metabotropic glutamate receptor type 2	0.0054	0.0746	0.0746
Echinococcus granulosus	geminin	0.0167	0.5284	0.5057
Echinococcus granulosus	heat shock protein 90	0.0115	0.3188	0.286
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0284	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Brugia malayi	Endoplasmin precursor	0.0115	0.3188	0.3188
Echinococcus multilocularis	geminin	0.0167	0.5284	0.5057
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0079	0.1757	0.1757
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1648	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Trypanosoma brucei	heat shock protein 90, putative	0.0115	0.3188	1
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0068	0.1299	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0792	0.0792
Echinococcus granulosus	glycine receptor subunit beta	0.0147	0.449	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0215	0.7245	0.7245
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Schistosoma mansoni	glutamate receptor AMPA	0.0079	0.1765	0.1535
Echinococcus granulosus	heat shock protein 90	0.0091	0.2247	0.1873
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1648	0.1245
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0147	0.449	0.4224
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0102	0.2675	0.2322
Schistosoma mansoni	glutamate receptor NMDA	0.0258	0.896	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1648	0.1398
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0114	0.3146	0.2815
Trypanosoma cruzi	heat shock protein 85, putative	0.0091	0.2247	0.655
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0792	0.0348
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0284	1	1
Plasmodium vivax	endoplasmin, putative	0.0115	0.3188	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Schistosoma mansoni	heat shock protein	0.0115	0.3188	0.321
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0792	0.0348
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0147	0.449	0.4224
Trypanosoma brucei	heat shock protein 90, putative	0.0115	0.3188	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0115	0.3188	1
Loa Loa (eye worm)	GABA receptor subunit	0.0079	0.1757	0.1757
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0102	0.2675	0.2322
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0284	1	1
Echinococcus multilocularis	nAChR subunit	0.0079	0.1757	0.136
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0068	0.1299	0.0879
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Brugia malayi	TAR-binding protein	0.0076	0.1648	0.1648
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Echinococcus multilocularis	nmda type glutamate receptor	0.0185	0.6035	0.5844
Echinococcus multilocularis	glycine receptor subunit beta	0.0147	0.449	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0114	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Schistosoma mansoni	ATP-binding cassette transporter	0.0079	0.1765	0.1535
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0068	0.1299	0.0987
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Loa Loa (eye worm)	ACC-1 protein	0.0147	0.449	0.449
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0147	0.449	0.4224
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0068	0.1299	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0284	1	1
Onchocerca volvulus		0.0068	0.1299	0.0879
Onchocerca volvulus		0.0215	0.7245	0.7112
Trypanosoma cruzi	Heat shock protein 83, putative	0.0115	0.3188	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0147	0.449	0.4741
Entamoeba histolytica	heat shock protein 90, putative	0.0115	0.3188	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3335	0.3335
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0073	0.149	0.149
Brugia malayi	Cation transporter family protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Brugia malayi	heat shock protein 90	0.0115	0.3188	0.3188
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0147	0.449	0.449
Loa Loa (eye worm)	glutamate receptor 2	0.0079	0.1765	0.1765
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.1299	0.1299
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0079	0.1757	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Echinococcus multilocularis	glutamate receptor 2	0.0102	0.2675	0.2322
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0147	0.449	0.449
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0068	0.1299	0.1299
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1648	0.1398
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0147	0.449	0.4224
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0215	0.7245	0.7982
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0189	0.6165	0.598
Schistosoma mansoni	glutamate receptor kainate	0.0079	0.1765	0.1535
Onchocerca volvulus		0.0147	0.449	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0102	0.2675	0.2322
Trypanosoma cruzi	heat shock protein 90, putative	0.0068	0.1294	0.3058
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0147	0.449	0.4224
Loa Loa (eye worm)	heat shock protein 75	0.0047	0.046	0.046
Schistosoma mansoni	hypothetical protein	0.0167	0.5284	0.5675
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1757	0.1757
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0147	0.449	0.4224
Echinococcus granulosus	nAChR subunit	0.0147	0.449	0.4224
Onchocerca volvulus		0.0079	0.1757	0.136
Toxoplasma gondii	heat shock protein 90, putative	0.0115	0.3188	1
Schistosoma mansoni	heat shock protein	0.0115	0.3188	0.321
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0091	0.2247	0.655
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0189	0.6165	0.598
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0115	0.3188	1
Loa Loa (eye worm)	endoplasmin	0.0115	0.3188	0.3188
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0068	0.1299	0.1299
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1648	0.1648
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Toxoplasma gondii	heat shock protein HSP90	0.0115	0.3188	1
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Leishmania major	heat shock protein 83-1	0.0115	0.3188	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0068	0.1299	0.0987
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0079	0.1757	0.1757
Onchocerca volvulus	Putative nachr subunit	0.0284	1	1
Echinococcus multilocularis	nAChR subunit	0.0147	0.449	0.4224
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0147	0.449	0.449
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0284	1	1
Brugia malayi	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1648	0.1245
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0102	0.2675	0.2322
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0102	0.2675	0.2322
Trichomonas vaginalis	heat shock protein, putative	0.0091	0.2247	0.655
Schistosoma mansoni	neurotransmitter gated ion channel	0.0068	0.1299	0.0987
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0147	0.449	0.449
Onchocerca volvulus	Huntingtin homolog	0.0118	0.3335	0.3013
Schistosoma mansoni	glutamate receptor AMPA	0.0079	0.1765	0.1535
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0102	0.2675	0.2322
Echinococcus multilocularis	heat shock protein 90	0.0115	0.3188	0.286
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Brugia malayi	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0147	0.449	0.4224
Onchocerca volvulus		0.0215	0.7245	0.7112
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0147	0.449	0.4741
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0147	0.449	0.449
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0115	0.3188	1
Loa Loa (eye worm)	glutamate receptor 1	0.0079	0.1765	0.1765
Schistosoma mansoni	neurotransmitter gated ion channel	0.0079	0.1757	0.1526
Onchocerca volvulus		0.0068	0.1299	0.0879
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0147	0.449	0.449
Loa Loa (eye worm)	ACC-1 protein	0.0147	0.449	0.449
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0091	0.2247	0.5
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0147	0.449	0.4224
Trichomonas vaginalis	heat shock protein, putative	0.0091	0.2247	0.655
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0147	0.449	0.4224
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0079	0.1757	0.1757
Schistosoma mansoni	nAChR subunit	0.0147	0.449	0.4741
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0068	0.1299	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0147	0.449	0.449
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0147	0.449	0.449
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0147	0.449	0.449
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0147	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.0147	0.449	0.449
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1648	0.1398
Echinococcus multilocularis	glutamate receptor 2	0.0079	0.1765	0.1368
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0147	0.449	0.449
Trypanosoma brucei	heat shock protein, putative	0.0115	0.3188	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Schistosoma mansoni	endoplasmin	0.0115	0.3188	0.321
Brugia malayi	Glutamate receptor 1 precursor	0.0079	0.1765	0.1765
Onchocerca volvulus		0.0079	0.1757	0.136
Onchocerca volvulus		0.0068	0.1299	0.0879
Echinococcus granulosus	glutamate receptor NMDA	0.0156	0.4851	0.4603
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0102	0.2675	0.2322
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0792	0.0348
Loa Loa (eye worm)	acetylcholine receptor protein	0.0068	0.1299	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1299	0.1299
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1648	0.1398
Onchocerca volvulus		0.0147	0.449	0.4224

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	1.2589 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.4662 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1891032

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1588551