TDR Targets

Basic information

Technical information

TDR Targets ID: 729476
Name: 2-[(5-chloro-2-methylphenyl)-(4-methylphenyl) sulfonylamino]-N-pyridin-3-ylacetamide
MW: 429.92 | Formula: C21H20ClN3O3S
H donors: 1 H acceptors: 4 LogP: 3.82 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)C)c1cc(Cl)ccc1C)Nc1cccnc1
InChi: 1S/C21H20ClN3O3S/c1-15-5-9-19(10-6-15)29(27,28)25(20-12-17(22)8-7-16(20)2)14-21(26)24-18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,26)
InChiKey: NFDWXCHKUTXJDG-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

2-[(5-chloro-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-(3-pyridyl)acetamide
2-[(5-chloro-2-methylphenyl)-(4-methylphenyl)sulfonylamino]-N-(3-pyridyl)acetamide
2-[(5-chloro-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-pyridin-3-yl-ethanamide
NCGC00098795-01
Oprea1_106172

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0111	0.1721	0.1968
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Onchocerca volvulus		0.0111	0.1721	0.4766
Echinococcus granulosus	orexin receptor type 2	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0473	0.0809
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Schistosoma mansoni	opsin-like receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0111	0.1721	0.1968
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Echinococcus granulosus	G protein coupled receptor 139	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	beta-lactamase	0.0072	0.0802	0.1371
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0111	0.1721	0.1968
Onchocerca volvulus		0.0111	0.1721	0.4766
Schistosoma mansoni	neuropeptide receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0111	0.1721	0.5775
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.1562	0.267
Schistosoma mansoni	amine GPCR	0.0111	0.1721	0.5775
Brugia malayi	Serotonin receptor	0.0111	0.1721	0.2942
Echinococcus multilocularis	orexin receptor type 2	0.0111	0.1721	0.1968
Schistosoma mansoni	amine GPCR	0.0111	0.1721	0.5775
Echinococcus granulosus	hypothetical protein	0.0111	0.1721	0.1968
Schistosoma mansoni	neuropeptide receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	hypothetical protein	0.0071	0.0782	0.2623
Echinococcus multilocularis	allatostatin A receptor	0.0111	0.1721	0.1968
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.585	0.6688
Schistosoma mansoni	neuropeptide F-like receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	somatostatin receptor	0.0111	0.1721	0.1968
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.2098	0.2399
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Schistosoma mansoni	biogenic amine receptor	0.0111	0.1721	0.5775
Brugia malayi	RNA binding protein	0.0127	0.2098	0.3587
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.298	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0802	0.0551
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.2691	0.3077
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0802	0.0551
Brugia malayi	Dopamine receptor	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.585	0.6688
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Schistosoma mansoni	neuropeptide F-like receptor	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Echinococcus multilocularis	sex peptide receptor	0.0111	0.1721	0.1968
Onchocerca volvulus		0.0111	0.1721	0.4766
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Brugia malayi	beta-lactamase family protein	0.0072	0.0802	0.1371
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.1562	0.1973
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Echinococcus granulosus	tm gpcr rhodopsin	0.0111	0.1721	0.1968
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0111	0.1721	0.1968
Onchocerca volvulus		0.0111	0.1721	0.4766
Onchocerca volvulus		0.0111	0.1721	0.4766
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0111	0.1721	0.1968
Onchocerca volvulus		0.0072	0.0802	0.1257
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2098	0.7041
Echinococcus granulosus	dro:myosuppressin receptor	0.0111	0.1721	0.1968
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Schistosoma mansoni	amine GPCR	0.0111	0.1721	0.5775
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0802	0.2692
Onchocerca volvulus		0.0111	0.1721	0.4766
Schistosoma mansoni	biogenic amine receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Onchocerca volvulus		0.0072	0.0802	0.1257
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0802	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0111	0.1721	0.1968
Echinococcus granulosus	7tm_1 domain containing protein	0.0111	0.1721	0.1968
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0782	0.1336
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0111	0.1721	0.4766
Brugia malayi	RE15519p	0.0111	0.1721	0.2942
Echinococcus granulosus	tumor protein p63	0.0408	0.8747	1
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.2098	0.3587
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0111	0.1721	0.1968
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0802	0.1371
Mycobacterium ulcerans	lipase LipD	0.0072	0.0802	0.5
Brugia malayi	GnHR receptor homolog	0.0111	0.1721	0.2942
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	neuropeptide f receptor 76f	0.0111	0.1721	0.5775
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2098	0.7041
Echinococcus granulosus	fmrfamide receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0111	0.1721	0.5775
Onchocerca volvulus		0.0111	0.1721	0.4766
Loa Loa (eye worm)	G-protein coupled receptor	0.0111	0.1721	0.2271
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Onchocerca volvulus		0.0111	0.1721	0.4766
Echinococcus granulosus	serotonin receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Onchocerca volvulus		0.0072	0.0802	0.1257
Loa Loa (eye worm)	neuropeptide F receptor	0.0111	0.1721	0.2271
Brugia malayi	beta-lactamase family protein	0.0072	0.0802	0.1371
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0111	0.1721	0.5775
Echinococcus granulosus	neuropeptide receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.2098	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	Melatonin receptor type 1A	0.0111	0.1721	0.2942
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0111	0.1721	0.1968
Onchocerca volvulus		0.0111	0.1721	0.4766
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	neuropeptides capa receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	ORL1-like opioid receptor	0.0111	0.1721	0.2942
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Onchocerca volvulus		0.0169	0.3092	1
Schistosoma mansoni	amine GPCR	0.0111	0.1721	0.5775
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0111	0.1721	0.1968
Brugia malayi	TAR-binding protein	0.0127	0.2098	0.3587
Brugia malayi	hypothetical protein	0.0169	0.3092	0.5285
Schistosoma mansoni	hypothetical protein	0.0058	0.0473	0.1587
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0111	0.1721	0.2942
Loa Loa (eye worm)	neuropeptide F receptor	0.0111	0.1721	0.2271
Echinococcus multilocularis	G protein coupled receptor 139	0.0111	0.1721	0.1968
Schistosoma mansoni	amine GPCR	0.0111	0.1721	0.5775
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.1562	0.267
Echinococcus multilocularis	neuropeptide s receptor	0.0111	0.1721	0.1968
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.2691	0.3077
Echinococcus multilocularis	dro:myosuppressin receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0111	0.1721	0.5775
Brugia malayi	G-protein coupled receptor	0.0111	0.1721	0.2942
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0111	0.1721	0.1968
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	allatostatin A receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	hypothetical protein	0.0111	0.1721	0.5775
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0111	0.1721	0.1968
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0802	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	growth hormone secretagogue receptor	0.0111	0.1721	0.5775
Echinococcus granulosus	tm gpcr rhodopsin	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0802	0.0917
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	G-protein coupled receptor	0.0111	0.1721	0.2271
Brugia malayi	Dopamine receptor protein 1	0.0111	0.1721	0.2942
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Onchocerca volvulus		0.006	0.0508	0.0134
Echinococcus multilocularis	neuropeptides capa receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	melatonin receptor type 1A	0.0111	0.1721	0.2271
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Echinococcus granulosus	g protein coupled receptor	0.0111	0.1721	0.1968
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0111	0.1721	0.1968
Schistosoma mansoni	hypothetical protein	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	neuropeptide Y receptor	0.0111	0.1721	0.1968
Brugia malayi	G protein-coupled receptor F59B2.13	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0286	0.585	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0111	0.1721	0.1968
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0802	0.5
Onchocerca volvulus		0.0111	0.1721	0.4766
Toxoplasma gondii	ABC1 family protein	0.0072	0.0802	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	biogenic amine 5HT receptor	0.0111	0.1721	0.1968
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0802	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	g protein coupled receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2098	0.7041
Brugia malayi	hypothetical protein	0.0286	0.585	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.298	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0802	0.5
Brugia malayi	sulfakinin receptor protein	0.0111	0.1721	0.2942
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0111	0.1721	0.2271
Schistosoma mansoni	histamine h1 receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0111	0.1721	0.1968
Echinococcus multilocularis	serotonin receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Loa Loa (eye worm)	RNA binding protein	0.0127	0.2098	0.2977
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Echinococcus granulosus	neuropeptide FF receptor 2	0.0111	0.1721	0.1968
Echinococcus multilocularis	serotonin receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	neuropeptide receptor	0.0111	0.1721	0.1968
Echinococcus granulosus	neuropeptide Y receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0802	0.0551
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Brugia malayi	Serotonin receptor	0.0111	0.1721	0.2942
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2098	0.7041
Echinococcus granulosus	neuropeptide s receptor	0.0111	0.1721	0.1968
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0111	0.1721	0.1968
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0802	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0111	0.1721	0.1968
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0802	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	somatostatin receptor	0.0111	0.1721	0.1968
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	tm gpcr rhodopsin	0.0111	0.1721	0.1968
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0111	0.1721	0.5775
Echinococcus granulosus	neuropeptide receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	adenoreceptor	0.0111	0.1721	0.5775
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	hypothetical protein	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	Dopamine receptor protein 2	0.0111	0.1721	0.2942
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0802	0.0917
Echinococcus multilocularis	neuropeptide Y receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Schistosoma mansoni	myosin xvIII	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0802	0.0551
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0111	0.1721	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Onchocerca volvulus		0.0111	0.1721	0.4766
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0473	0.1587
Onchocerca volvulus		0.0111	0.1721	0.4766
Onchocerca volvulus		0.0111	0.1721	0.4766
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0802	0.0551
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0802	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	g protein coupled receptor	0.0111	0.1721	0.1968
Echinococcus multilocularis	g-protein coupled receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0802	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0802	0.5
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0802	0.0551
Schistosoma mansoni	biogenic amine receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0111	0.1721	0.5775
Onchocerca volvulus		0.0111	0.1721	0.4766
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0111	0.1721	0.2271
Echinococcus granulosus	sex peptide receptor	0.0111	0.1721	0.1968
Echinococcus multilocularis	fmrfamide receptor	0.0111	0.1721	0.1968
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0111	0.1721	0.2942
Echinococcus granulosus	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0111	0.1721	0.2942
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2098	0.7041
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	hypothetical protein	0.0111	0.1721	0.5775
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0111	0.1721	0.1968
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0508	0.1705
Brugia malayi	neuropeptide F receptor	0.0111	0.1721	0.2942
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0802	0.0551
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.2098	0.2977
Onchocerca volvulus		0.0111	0.1721	0.4766
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0802	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0111	0.1721	0.1968
Brugia malayi	follicle stimulating hormone receptor	0.0111	0.1721	0.2942
Schistosoma mansoni	hypothetical protein	0.0152	0.2691	0.9031
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0111	0.1721	0.2271
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0802	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0802	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0802	0.5
Echinococcus multilocularis	tumor protein p63	0.0408	0.8747	1
Brugia malayi	G protein-coupled receptor	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Brugia malayi	hypothetical protein	0.0111	0.1721	0.2942
Echinococcus multilocularis	neuropeptide receptor A26	0.0111	0.1721	0.1968
Loa Loa (eye worm)	TYRA-2 protein	0.0111	0.1721	0.2271
Echinococcus granulosus	neuropeptide receptor A26	0.0111	0.1721	0.1968
Schistosoma mansoni	neuropeptide receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0111	0.1721	0.1968
Brugia malayi	neuropeptide F receptor	0.0111	0.1721	0.2942
Echinococcus granulosus	biogenic amine 5HT receptor	0.0111	0.1721	0.1968
Echinococcus granulosus	tar DNA binding protein	0.0127	0.2098	0.2399
Trichomonas vaginalis	esterase, putative	0.0072	0.0802	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Onchocerca volvulus		0.0111	0.1721	0.4766
Brugia malayi	G-protein coupled receptor	0.0111	0.1721	0.2942
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0111	0.1721	0.4766
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0802	0.2692
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0111	0.1721	0.1968
Brugia malayi	AKH receptor	0.0111	0.1721	0.2942
Onchocerca volvulus		0.0111	0.1721	0.4766
Echinococcus granulosus	7TM GPCR rhodopsin	0.0111	0.1721	0.1968
Echinococcus granulosus	neuropeptides capa receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	fmrfamide receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1562	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Schistosoma mansoni	opsin-like receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0111	0.1721	0.1968
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus granulosus	g-protein coupled receptor	0.0111	0.1721	0.1968
Brugia malayi	larval opioid receptor	0.0111	0.1721	0.2942
Schistosoma mansoni	neuropeptide receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	opsin-like receptor	0.0111	0.1721	0.5775
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.298	0.3407
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1721	0.2271
Echinococcus multilocularis	neuropeptide Y receptor	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0169	0.3092	0.4837
Echinococcus multilocularis	g protein coupled receptor	0.0111	0.1721	0.1968
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0111	0.1721	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0782	0.0512
Brugia malayi	putative neuropeptide receptor	0.0111	0.1721	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0802	0.0551
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0111	0.1721	0.5775
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0802	0.5
Leishmania major	hypothetical protein, conserved	0.0072	0.0802	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0111	0.1721	0.1968
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0111	0.1721	0.5775
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0111	0.1721	0.5775

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1397627
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 729476