TDR Targets

Basic information

Technical information

TDR Targets ID: 1311333
Name: [2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-brom o-2,5-dimethylphenyl)sulfanylacetate
MW: 436.363 | Formula: C20H22BrNO3S
H donors: 1 H acceptors: 2 LogP: 5.02 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(c1ccccc1)C)COC(=O)CSc1cc(C)c(cc1C)Br
InChi: 1S/C20H22BrNO3S/c1-13-10-18(14(2)9-17(13)21)26-12-20(24)25-11-19(23)22-15(3)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3,(H,22,23)
InChiKey: XNLQGVGXGBCMOP-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-oxo-2-(1-phenylethylamino)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate
2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester
2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-(1-phenylethylamino)ethyl] ester
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylethanoate
MLS000389989
SMR000256263
T0506-9003

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Echinococcus granulosus	neuropeptide receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.041	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptide receptor A26	0.0058	0.0738	0.0738
Brugia malayi	G protein-coupled receptor	0.0058	0.0738	0.0737
Brugia malayi	Melatonin receptor type 1A	0.0058	0.0738	0.0737
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Brugia malayi	Serotonin receptor	0.0058	0.0738	0.0737
Schistosoma mansoni	voltage-gated potassium channel	0.0085	0.1314	0.1314
Loa Loa (eye worm)	hypothetical protein	0.0286	0.5714	0.5714
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	neuropeptide Y receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine receptor	0.0058	0.0738	0.0738
Mycobacterium ulcerans	hypothetical protein	0.0043	0.041	1
Brugia malayi	Glutamate receptor 2 precursor	0.0066	0.0914	0.0913
Echinococcus granulosus	g protein coupled receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0058	0.0738	0.0738
Echinococcus granulosus	7TM GPCR rhodopsin	0.0058	0.0738	0.0738
Loa Loa (eye worm)	neuropeptide F receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.041
Echinococcus multilocularis	fmrfamide receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	opsin-like receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Echinococcus granulosus	geminin	0.0205	0.3941	0.3941
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Echinococcus granulosus	neuropeptide s receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0058	0.0738	0.0738
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0058	0.0738	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.041
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0058	0.0738	0.0738
Brugia malayi	RE15519p	0.0058	0.0738	0.0737
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Brugia malayi	neuropeptide F receptor	0.0058	0.0738	0.0737
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0001	0.0001
Echinococcus multilocularis	glutamate receptor 4	0.0042	0.0371	0.0371
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.041	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	biogenic amine 5HT receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptide Y receptor	0.0058	0.0738	0.0738
Brugia malayi	Dopamine receptor protein 2	0.0058	0.0738	0.0737
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.041	1
Onchocerca volvulus		0.0058	0.0738	0.0342
Schistosoma mansoni	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	glutamate receptor 2	0.0071	0.1017	0.1017
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	g protein coupled receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	biogenic amine 5HT receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.041	0.041
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0058	0.0738	0.0738
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0071	0.1017	0.1017
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0058	0.0738	0.0738
Brugia malayi	neuropeptide F receptor	0.0058	0.0738	0.0737
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	fmrfamide receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0058	0.0738	0.0738
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.041	0.5
Onchocerca volvulus		0.0058	0.0738	0.0342
Onchocerca volvulus		0.0058	0.0738	0.0342
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0058	0.0738	0.0738
Toxoplasma gondii	ABC1 family protein	0.0043	0.041	0.5
Leishmania major	hypothetical protein, conserved	0.0043	0.041	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0734	0.0733
Schistosoma mansoni	adenoreceptor	0.0058	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0058	0.0738	0.0738
Echinococcus granulosus	somatostatin receptor	0.0058	0.0738	0.0738
Brugia malayi	putative neuropeptide receptor	0.0058	0.0738	0.0737
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.041	1
Echinococcus granulosus	g protein coupled receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	ceramide glucosyltransferase	0.0481	1	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.5714	0.5714
Schistosoma mansoni	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	ceramide glucosyltransferase	0.0481	1	1
Schistosoma mansoni	hypothetical protein	0.0205	0.3941	0.3941
Loa Loa (eye worm)	G-protein coupled receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	allatostatin A receptor	0.0058	0.0738	0.0738
Brugia malayi	beta-lactamase	0.0043	0.041	0.0409
Echinococcus granulosus	neuropeptide receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	g-protein coupled receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.5714	0.5714
Echinococcus multilocularis	g-protein coupled receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	neuropeptide Y receptor	0.0058	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Echinococcus granulosus	ceramide glucosyltransferase	0.0481	1	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.1046	1
Echinococcus granulosus	glutamate receptor 2	0.0062	0.0816	0.0816
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0481	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0371	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptides capa receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	glutamate receptor 2	0.0066	0.0914	0.0914
Loa Loa (eye worm)	glutamate receptor 1	0.0066	0.0914	0.0914
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.041	0.041
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	hypothetical protein	0.0058	0.0734	0.0734
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.0103	0.0103
Echinococcus granulosus	allatostatin A receptor	0.0058	0.0738	0.0738
Brugia malayi	AKH receptor	0.0058	0.0738	0.0737
Echinococcus multilocularis	glutamate receptor 2	0.0062	0.0816	0.0816
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0058	0.0738	0.0738
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0058	0.0738	0.0738
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	7tm_1 domain containing protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	neuropeptide FF receptor 2	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0371	0.0371
Schistosoma mansoni	ceramide glucosyltransferase	0.0481	1	1
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0078	0.1157	0.1157
Echinococcus multilocularis	G protein coupled receptor 139	0.0058	0.0738	0.0738
Schistosoma mansoni	amine GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Schistosoma mansoni	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	beta-lactamase	0.0043	0.041	0.041
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Brugia malayi	G-protein coupled receptor	0.0058	0.0738	0.0737
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0078	0.1157	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	somatostatin receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.0103	0.0103
Echinococcus multilocularis	sex peptide receptor	0.0058	0.0738	0.0738
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0058	0.0738	0.0737
Schistosoma mansoni	histamine h1 receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.0103	0.0103
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine receptor	0.0058	0.0738	0.0738
Brugia malayi	follicle stimulating hormone receptor	0.0058	0.0738	0.0737
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0058	0.0738	0.0737
Brugia malayi	sulfakinin receptor protein	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptide s receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.0103	0.0103
Echinococcus granulosus	neuropeptide receptor A26	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptide receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0933	0.0933
Brugia malayi	putative neuropeptide receptor NPR1	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Mycobacterium leprae	Probable lipase LipE	0.0043	0.041	0.5
Schistosoma mansoni	neuropeptide receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	neuropeptide receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0371	0.0371
Brugia malayi	G-protein coupled receptor	0.0058	0.0738	0.0737
Echinococcus multilocularis	serotonin receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0058	0.0738	0.0342
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0051	0.0572	0.0572
Onchocerca volvulus		0.0058	0.0738	0.0342
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	amine GPCR	0.0058	0.0738	0.0738
Schistosoma mansoni	neuropeptide F-like receptor	0.0058	0.0738	0.0738
Brugia malayi	G protein-coupled receptor F59B2.13	0.0058	0.0738	0.0737
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.041	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0058	0.0738	0.0738
Schistosoma mansoni	opsin-like receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	neuropeptides capa receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0071	0.1017	0.1017
Schistosoma mansoni	hypothetical protein	0.0205	0.3941	0.3941
Brugia malayi	beta-lactamase family protein	0.0043	0.041	0.0409
Echinococcus multilocularis	orexin receptor type 2	0.0058	0.0738	0.0738
Mycobacterium ulcerans	lipase LipD	0.0043	0.041	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0058	0.0738	0.0738
Brugia malayi	Glutamate receptor 1 precursor	0.0066	0.0914	0.0913
Onchocerca volvulus		0.0058	0.0738	0.0342
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0058	0.0738	0.0738
Brugia malayi	beta-lactamase family protein	0.0043	0.041	0.0409
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.041	0.041
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Giardia lamblia	Ceramide glucosyltransferase	0.0218	0.4237	0.5
Onchocerca volvulus		0.0058	0.0738	0.0342
Echinococcus granulosus	glutamate receptor 4	0.0042	0.0371	0.0371
Echinococcus granulosus	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	G-protein coupled receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.041	0.041
Schistosoma mansoni	growth hormone secretagogue receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	geminin	0.0205	0.3941	0.3941
Echinococcus granulosus	tm gpcr rhodopsin	0.0058	0.0738	0.0738
Echinococcus multilocularis	serotonin receptor	0.0058	0.0738	0.0738
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.5544	1
Echinococcus multilocularis	g protein coupled receptor	0.0058	0.0738	0.0738
Echinococcus granulosus	dro:myosuppressin receptor	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0058	0.0738	0.0738
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0058	0.0738	0.0738
Loa Loa (eye worm)	TYRA-2 protein	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Onchocerca volvulus		0.0058	0.0738	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.041
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0078	0.1157	0.1157
Echinococcus granulosus	tm gpcr rhodopsin	0.0058	0.0738	0.0738
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.0103	0.0103
Schistosoma mansoni	voltage-gated potassium channel	0.0085	0.1314	0.1314
Brugia malayi	Serotonin receptor	0.0058	0.0738	0.0737
Echinococcus multilocularis	fmrfamide receptor	0.0058	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Brugia malayi	hypothetical protein	0.0286	0.5714	0.5714
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	glutamate receptor NMDA	0.0029	0.0103	0.0103
Echinococcus multilocularis	neuropeptide Y receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	dro:myosuppressin receptor	0.0058	0.0738	0.0738
Brugia malayi	ORL1-like opioid receptor	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	glutamate receptor 2	0.0071	0.1017	0.1017
Echinococcus granulosus	glutamate receptor 1	0.0042	0.0371	0.0371
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	myosin xvIII	0.0058	0.0738	0.0738
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0058	0.0738	0.0737
Schistosoma mansoni	neuropeptide F-like receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Schistosoma mansoni	neuropeptide f receptor 76f	0.0058	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.041	0.041
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	amine GPCR	0.0058	0.0738	0.0738
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0058	0.0738	0.0737
Echinococcus granulosus	sex peptide receptor	0.0058	0.0738	0.0738
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0058	0.0738	0.0342
Schistosoma mansoni	amine GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Loa Loa (eye worm)	melatonin receptor type 1A	0.0058	0.0738	0.0738
Echinococcus granulosus	orexin receptor type 2	0.0058	0.0738	0.0738
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Schistosoma mansoni	amine GPCR	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Brugia malayi	GnHR receptor homolog	0.0058	0.0738	0.0737
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0058	0.0738	0.0738
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.041	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.041	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0051	0.0572	0.0572
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0058	0.0738	0.0738
Schistosoma mansoni	biogenic amine receptor	0.0058	0.0738	0.0738
Brugia malayi	Dopamine receptor protein 1	0.0058	0.0738	0.0737
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0058	0.0738	0.0737
Brugia malayi	larval opioid receptor	0.0058	0.0738	0.0737
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus multilocularis	g protein coupled receptor	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0734	0.0337
Echinococcus granulosus	serotonin receptor	0.0058	0.0738	0.0738
Onchocerca volvulus		0.0058	0.0738	0.0342
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0058	0.0738	0.0738
Schistosoma mansoni	opsin-like receptor	0.0058	0.0738	0.0738
Schistosoma mansoni	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	neuropeptides capa receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	g protein coupled receptor	0.0058	0.0738	0.0738
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0058	0.0738	0.0738
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0058	0.0738	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0738	0.0738
Echinococcus granulosus	G protein coupled receptor 139	0.0058	0.0738	0.0738
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0072	0.1046	1
Brugia malayi	Dopamine receptor	0.0058	0.0738	0.0737
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0734	0.0734
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0058	0.0738	0.0738
Brugia malayi	hypothetical protein	0.0058	0.0738	0.0737
Mycobacterium ulcerans	beta-lactamase	0.0043	0.041	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0078	0.1157	0.1157
Echinococcus granulosus	tm gpcr rhodopsin	0.0058	0.0738	0.0738
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0481	1	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0058	0.0738	0.0738

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.92 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 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)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1425838

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1311333