TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 440.439 | Formula: C19H19F3N4O3S
H donors: 0 H acceptors: 4 LogP: 3.74 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)sc(n2)c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
InChi: 1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3
InChiKey: MDFQKZXRTVTODM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Transcriptional regulatory repressor protein (TetR-family) EthR		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	transcriptional regulator	Get druggable targets OG5_191427	All targets in OG5_191427
Mycobacterium ulcerans	AcrR family transcriptional regulator	Get druggable targets OG5_191427	All targets in OG5_191427
Mycobacterium ulcerans	TetR family transcriptional regulator	Get druggable targets OG5_191427	All targets in OG5_191427
Mycobacterium leprae	Probable transcriptional regulatory repressor protein (TetR-family) EthR	Get druggable targets OG5_191427	All targets in OG5_191427
Mycobacterium tuberculosis	Transcriptional regulatory repressor protein (TetR-family) EthR	Get druggable targets OG5_191427	All targets in OG5_191427

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	neuropeptide Y receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0986	0.5874	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0041	0.015	0.1501
Schistosoma mansoni	hypothetical protein	0.0035	0.0115	0.1191
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0075	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Brugia malayi	Serotonin receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0022	0.0036	0.0357
Loa Loa (eye worm)	hypothetical protein	0.012	0.0626	0.6252
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0041	0.015	0.155
Echinococcus multilocularis	neuropeptide s receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	allatostatin A receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	neuropeptide receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1001	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0041	0.015	0.1501
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0041	0.015	0.1501
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0041	0.015	0.155
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Onchocerca volvulus		0.0041	0.015	0.0964
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0212	0.6894
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0193	0.6179
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	fmrfamide receptor	0.0041	0.015	0.0256
Brugia malayi	hypothetical protein	0.0017	0.0003	0.0031
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0024	0.0024
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0041	0.015	0.155
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0024	0.0024
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.006	0.3812
Echinococcus multilocularis	neuropeptides capa receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	neuropeptide F receptor	0.0041	0.015	0.1501
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0022	0.0036	0.0368
Onchocerca volvulus		0.0041	0.015	0.0964
Echinococcus granulosus	7TM GPCR rhodopsin	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0026	0.006	0.0594
Echinococcus multilocularis	Niemann Pick C1 protein	0.012	0.0626	0.1065
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0041	0.015	0.155
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Onchocerca volvulus		0.0041	0.015	0.0964
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0115	0.1154
Echinococcus multilocularis	neuropeptide Y receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.0654	0.653
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Trypanosoma brucei	GAF domain/TIP41-like family, putative	0.0042	0.0156	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0064	0.0291	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	neuropeptides capa receptor	0.0041	0.015	0.1501
Trypanosoma cruzi	GAF domain/TIP41-like family, putative	0.0042	0.0156	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.0075	0.0044
Trypanosoma cruzi	GAF domain/TIP41-like family, putative	0.0042	0.0156	1
Brugia malayi	Dopamine receptor protein 1	0.0041	0.015	0.1501
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0	0.0002
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	neuropeptide receptor A26	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0075	0.0751
Echinococcus granulosus	expressed conserved protein	0.0112	0.0582	0.5812
Echinococcus granulosus	muscleblind protein	0.0182	0.1001	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0212	0.2115
Onchocerca volvulus		0.0041	0.015	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0041	0.015	0.1501
Brugia malayi	G protein-coupled receptor F59B2.13	0.0041	0.015	0.1501
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	CHE-14 protein	0.0051	0.0212	0.2115
Echinococcus granulosus	tm gpcr rhodopsin	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0024	0.0024
Schistosoma mansoni	opsin-like receptor	0.0041	0.015	0.155
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.006	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0041	0.015	0.0256
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0058	0.0253	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	g protein coupled receptor	0.0041	0.015	0.1501
Echinococcus granulosus	g protein coupled receptor	0.0041	0.015	0.1501
Schistosoma mansoni	neuropeptide F-like receptor	0.0041	0.015	0.155
Echinococcus granulosus	biogenic amine 5HT receptor	0.0041	0.015	0.1501
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0041	0.015	0.155
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0022	0.0036	0.2284
Schistosoma mansoni	hypothetical protein	0.0041	0.015	0.155
Echinococcus granulosus	neuropeptide receptor A26	0.0041	0.015	0.1501
Onchocerca volvulus		0.0041	0.015	0.0964
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Echinococcus granulosus	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	Dopamine receptor protein 2	0.0041	0.015	0.1501
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0041	0.015	0.0256
Schistosoma mansoni	adenoreceptor	0.0041	0.015	0.155
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0041	0.015	0.0256
Loa Loa (eye worm)	melatonin receptor type 1A	0.0041	0.015	0.1501
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0041	0.015	0.1501
Echinococcus granulosus	G protein coupled receptor 139	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0075	0.4817
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	amine GPCR	0.0041	0.015	0.155
Echinococcus granulosus	dro:myosuppressin receptor	0.0041	0.015	0.1501
Echinococcus multilocularis	orexin receptor type 2	0.0041	0.015	0.0256
Brugia malayi	sulfakinin receptor protein	0.0041	0.015	0.1501
Brugia malayi	ORL1-like opioid receptor	0.0041	0.015	0.1501
Schistosoma mansoni	hypothetical protein	0.0176	0.0969	1
Onchocerca volvulus		0.0041	0.015	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Entamoeba histolytica	hypothetical protein	0.0044	0.0166	0.1641
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0041	0.015	0.0256
Onchocerca volvulus		0.0041	0.015	0.0964
Schistosoma mansoni	hypothetical protein	0.0044	0.0166	0.1708
Brugia malayi	Niemann-Pick C1 protein precursor	0.012	0.0626	0.6252
Brugia malayi	neuropeptide F receptor	0.0041	0.015	0.1501
Brugia malayi	G protein-coupled receptor	0.0041	0.015	0.1501
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0122	0.0637	0.6571
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0041	0.015	0.1501
Echinococcus granulosus	sex peptide receptor	0.0041	0.015	0.1501
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0215	0.2148
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Echinococcus granulosus	Niemann Pick C1 protein	0.012	0.0626	0.6252
Onchocerca volvulus		0.0041	0.015	0.0964
Schistosoma mansoni	patched 1	0.0051	0.0212	0.2184
Onchocerca volvulus		0.0041	0.015	0.0964
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0212	0.2115
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0031	0.031
Onchocerca volvulus		0.0041	0.015	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0041	0.015	0.0256
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0022	0.0031	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0041	0.015	0.155
Echinococcus granulosus	g-protein coupled receptor	0.0041	0.015	0.1501
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.006	0.3812
Brugia malayi	hypothetical protein	0.0044	0.0166	0.1654
Echinococcus multilocularis	fmrfamide receptor	0.0041	0.015	0.0256
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0041	0.015	0.1501
Brugia malayi	Melatonin receptor type 1A	0.0041	0.015	0.1501
Onchocerca volvulus		0.0041	0.015	0.0964
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0041	0.015	0.155
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0041	0.015	0.1501
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0022	0.0036	0.0357
Mycobacterium ulcerans	short chain dehydrogenase	0.0217	0.1218	0.1191
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0075	0.0044
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Schistosoma mansoni	amine GPCR	0.0041	0.015	0.155
Mycobacterium tuberculosis	Transcriptional regulatory repressor protein (TetR-family) EthR	0.1667	1	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0115	0.1154
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0075	0.0044
Echinococcus multilocularis	g-protein coupled receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	muscleblind protein 1	0.0182	0.1001	0.1704
Schistosoma mansoni	hypothetical protein	0.005	0.0201	0.2068
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.006	0.3812
Schistosoma mansoni	opsin-like receptor	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0041	0.015	0.1501
Onchocerca volvulus		0.0041	0.015	0.0964
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0118	0.0613	0.6323
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0044	0.0166	0.0282
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0041	0.015	0.155
Brugia malayi	hypothetical protein	0.0157	0.0854	0.8529
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	fmrfamide receptor	0.0041	0.015	0.1501
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0041	0.015	0.1501
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.0654	0.653
Echinococcus multilocularis	g protein coupled receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Plasmodium falciparum	acyl-CoA synthetase	0.0022	0.0031	0.5197
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0075	0.0751
Schistosoma mansoni	hypothetical protein	0.005	0.0201	0.2068
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	Niemann Pick C1 protein	0.0171	0.0937	0.1595
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0291	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.0075	0.0044
Echinococcus granulosus	allatostatin A receptor	0.0041	0.015	0.1501
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0041	0.015	0.0256
Onchocerca volvulus		0.0041	0.015	0.0964
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.0075	0.0075
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0075	0.0751
Brugia malayi	GnHR receptor homolog	0.0041	0.015	0.1501
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0022	0.0036	0.0357
Echinococcus granulosus	neuropeptide Y receptor	0.0041	0.015	0.1501
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0075	0.0075
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0041	0.015	0.1501
Schistosoma mansoni	biogenic amine receptor	0.0041	0.015	0.155
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0075	0.4817
Schistosoma mansoni	amine GPCR	0.0041	0.015	0.155
Schistosoma mansoni	myosin xvIII	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	hypothetical protein	0.005	0.0201	0.2068
Echinococcus granulosus	tm gpcr rhodopsin	0.0041	0.015	0.1501
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0041	0.015	0.1501
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0022	0.0036	0.0061
Schistosoma mansoni	hypothetical protein	0.0041	0.015	0.155
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0075	0.4817
Schistosoma mansoni	neuropeptide f receptor 76f	0.0041	0.015	0.155
Mycobacterium ulcerans	transcriptional regulator	0.1667	1	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0613	0.6124
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0075	0.0751
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0041	0.015	0.155
Echinococcus granulosus	neuropeptide receptor	0.0041	0.015	0.1501
Plasmodium vivax	acyl-CoA synthetase, putative	0.0022	0.0031	0.5197
Brugia malayi	AKH receptor	0.0041	0.015	0.1501
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0582	0.099
Echinococcus granulosus	serotonin receptor	0.0041	0.015	0.1501
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0022	0.0031	0.0031
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0212	0.036
Brugia malayi	Muscleblind-like protein	0.0182	0.1001	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0118	0.0613	0.6124
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0041	0.015	0.1501
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0058	0.0253	0.0223
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0041	0.015	0.155
Entamoeba histolytica	hypothetical protein	0.0044	0.0166	0.1641
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Onchocerca volvulus		0.0041	0.015	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0044	0.0166	0.1654
Schistosoma mansoni	neuropeptide receptor	0.0041	0.015	0.155
Brugia malayi	Isocitrate dehydrogenase	0.0016	0	0.0002
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0036	0.2284
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	G-protein coupled receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0031	0.031
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0022	0.0036	0.0061
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.006	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0212	0.2115
Mycobacterium ulcerans	AcrR family transcriptional regulator	0.1667	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0042	0.0156	0.0156
Echinococcus multilocularis	g protein coupled receptor	0.0041	0.015	0.0256
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0041	0.015	0.1501
Echinococcus granulosus	tm gpcr rhodopsin	0.0041	0.015	0.1501
Schistosoma mansoni	transcription factor LCR-F1	0.0044	0.0166	0.1708
Echinococcus granulosus	neuropeptide s receptor	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0075	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Schistosoma mansoni	neuropeptide receptor	0.0041	0.015	0.155
Echinococcus granulosus	geminin	0.0176	0.0969	0.9685
Echinococcus granulosus	neuropeptide Y receptor	0.0041	0.015	0.1501
Schistosoma mansoni	neuropeptide receptor	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Mycobacterium tuberculosis	Probable oxidoreductase	0.0217	0.1218	0.1218
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.0075	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0215	0.2148
Brugia malayi	Dopamine receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	biogenic amine 5HT receptor	0.0041	0.015	0.1501
Echinococcus multilocularis	geminin	0.0176	0.0969	0.165
Echinococcus multilocularis	serotonin receptor	0.0041	0.015	0.0256
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0036	0.2284
Brugia malayi	Serotonin receptor	0.0041	0.015	0.1501
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0212	0.2115
Echinococcus multilocularis	protein patched	0.0051	0.0212	0.036
Echinococcus multilocularis	neuropeptide receptor	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	Niemann Pick C1 protein	0.0171	0.0937	0.9361
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0075	0.0044
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.006	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0041	0.015	0.1501
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0041	0.015	0.0256
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0041	0.015	0.155
Schistosoma mansoni	hypothetical protein	0.005	0.0201	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	G-protein coupled receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	biogenic amine receptor	0.0041	0.015	0.155
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Brugia malayi	neuropeptide F receptor	0.0041	0.015	0.1501
Leishmania major	hypothetical protein, conserved	0.0026	0.006	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	larval opioid receptor	0.0041	0.015	0.1501
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Schistosoma mansoni	neuropeptide F-like receptor	0.0041	0.015	0.155
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0041	0.015	0.0964
Echinococcus granulosus	somatostatin receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0026	0.006	0.0594
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0193	0.6179
Onchocerca volvulus		0.0157	0.0854	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0041	0.015	0.155
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0041	0.015	0.1501
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0041	0.015	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0282	0.2815
Entamoeba histolytica	hypothetical protein	0.0044	0.0166	0.1641
Onchocerca volvulus		0.0041	0.015	0.0964
Entamoeba histolytica	hypothetical protein	0.0044	0.0166	0.1641
Brugia malayi	putative neuropeptide receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	TYRA-2 protein	0.0041	0.015	0.1501
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0024	0.0024
Brugia malayi	isocitrate dehydrogenase	0.0016	0	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	G-protein coupled receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Schistosoma mansoni	hypothetical protein	0.0176	0.0969	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1001	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0064	0.0291	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0854	0.8529
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0031	0.031
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0022	0.0036	0.2284
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0031	0.031
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0041	0.015	0.0256
Echinococcus granulosus	neuropeptides capa receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	serotonin receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0064	0.0291	1
Schistosoma mansoni	neuropeptide receptor	0.0041	0.015	0.155
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0041	0.015	0.155
Echinococcus granulosus	orexin receptor type 2	0.0041	0.015	0.1501
Schistosoma mansoni	amine GPCR	0.0041	0.015	0.155
Echinococcus multilocularis	G protein coupled receptor 139	0.0041	0.015	0.0256
Echinococcus granulosus	neuropeptide receptor	0.0041	0.015	0.1501
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0215	0.2148
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.006	1
Brugia malayi	G-protein coupled receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0215	0.2148
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0	0.0002
Mycobacterium ulcerans	TetR family transcriptional regulator	0.1667	1	1
Onchocerca volvulus		0.0041	0.015	0.0964
Schistosoma mansoni	growth hormone secretagogue receptor	0.0041	0.015	0.155
Leishmania major	hypothetical protein, conserved	0.0042	0.0156	1
Echinococcus multilocularis	sex peptide receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	g protein coupled receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	dro:myosuppressin receptor	0.0041	0.015	0.0256
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0041	0.015	0.0964
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0	0.0002
Onchocerca volvulus		0.0041	0.015	0.0964
Schistosoma mansoni	opsin-like receptor	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0031	0.031
Brugia malayi	follicle stimulating hormone receptor	0.0041	0.015	0.1501
Schistosoma mansoni	biogenic amine receptor	0.0041	0.015	0.155
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0022	0.0036	0.2284
Echinococcus granulosus	7tm_1 domain containing protein	0.0041	0.015	0.1501
Schistosoma mansoni	hypothetical protein	0.0041	0.015	0.155
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0041	0.015	0.1501
Echinococcus granulosus	rhodopsin orphan GPCR	0.0041	0.015	0.1501
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0041	0.015	0.0256
Schistosoma mansoni	amine GPCR	0.0041	0.015	0.155
Brugia malayi	MH2 domain containing protein	0.0124	0.0654	0.653
Brugia malayi	RE15519p	0.0041	0.015	0.1501
Schistosoma mansoni	hypothetical protein	0.0041	0.015	0.155
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0041	0.015	0.0256
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0041	0.015	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Echinococcus granulosus	g protein coupled receptor	0.0041	0.015	0.1501
Echinococcus multilocularis	somatostatin receptor	0.0041	0.015	0.0256
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0041	0.015	0.0256
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0041	0.015	0.155
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0075	0.0044
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.012	0.0626	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0041	0.015	0.0256
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0041	0.015	0.1501
Schistosoma mansoni	histamine h1 receptor	0.0041	0.015	0.155
Echinococcus multilocularis	muscleblind protein	0.0182	0.1001	0.1704
Echinococcus multilocularis	protein dispatched 1	0.0059	0.0256	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0041	0.015	0.1501
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0041	0.015	0.155
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0075	0.0751
Brugia malayi	putative neuropeptide receptor NPR1	0.0041	0.015	0.1501
Brugia malayi	hypothetical protein	0.0041	0.015	0.1501

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 197 microL/min/mg	Intrinsic clearance in CD-1 mouse liver microsomes at 1 uM by LC-MS/MS analysis	ChEMBL.	22098589
EC50 (binding)	= 0.2 uM	Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as potentiation of ethionamide-induced antitubercular activity after 5 days by SYTO60-based fluorescence microscopy	ChEMBL.	22098589
IC50 (binding)	= 1 uM	Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay	ChEMBL.	22098589
Inhibition (binding)		Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay	ChEMBL.	22098589
T1/2 (ADMET)	= 6 min	Half life in CD-1 mouse liver microsomes at 1 uM by LC-MS/MS analysis	ChEMBL.	22098589

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: CHEMBL1945812

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1602602