TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.398 | Formula: C17H15N5O2S
H donors: 3 H acceptors: 3 LogP: 2.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)sc(n2)NC(=O)NCc1nc2c([nH]1)cccc2
InChi: 1S/C17H15N5O2S/c1-24-10-6-7-13-14(8-10)25-17(21-13)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
InChiKey: BRTBLQKMUVXCPU-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
Streptococcus pneumoniae	Enoyl-(Acyl-carrier-protein) reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	enoyl-[acyl-carrier-protein] reductase, putative	Get druggable targets OG5_129399	All targets in OG5_129399
Leishmania major	enoyl-[acyl-carrier-protein] reductase, putative	Get druggable targets OG5_129399	All targets in OG5_129399
Candida albicans	potential fungal 2-nitropropane dioxygenase similar to S. cerevisiae YJR149W	Get druggable targets OG5_129399	All targets in OG5_129399
Leishmania braziliensis	2-nitropropane dioxygenase, putative	Get druggable targets OG5_129399	All targets in OG5_129399
Mycobacterium tuberculosis	Possible alanine rich oxidoreductase	Get druggable targets OG5_129399	All targets in OG5_129399
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_129399	All targets in OG5_129399
Leishmania infantum	enoyl-[acyl-carrier-protein] reductase, putative	Get druggable targets OG5_129399	All targets in OG5_129399
Candida albicans	hypothetical protein	Get druggable targets OG5_129399	All targets in OG5_129399
Leishmania donovani	enoyl-[acyl-carrier-protein] reductase, putative	Get druggable targets OG5_129399	All targets in OG5_129399
Leishmania braziliensis	enoyl-[acyl-carrier-protein] reductase, putative	Get druggable targets OG5_129399	All targets in OG5_129399
Mycobacterium ulcerans	2-nitropropane dioxygenase	Get druggable targets OG5_129399	All targets in OG5_129399
Wolbachia endosymbiont of Brugia malayi	trans-2-enoyl-ACP reductase, FabK	Get druggable targets OG5_129399	All targets in OG5_129399
Mycobacterium tuberculosis	Possible oxidoreductase	Get druggable targets OG5_129399	All targets in OG5_129399
Trichomonas vaginalis	2-nitropropane dioxygenase precursor, putative	Get druggable targets OG5_129399	All targets in OG5_129399

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Conserved protein	Enoyl-(Acyl-carrier-protein) reductase	324 aa	369 aa	27.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Dopamine receptor protein 1	0.0054	0.2218	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0054	0.2218	0.5
Brugia malayi	ORL1-like opioid receptor	0.0054	0.2218	1
Schistosoma mansoni	neuropeptide receptor	0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	biogenic amine receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0054	0.2218	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0054	0.2218	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0054	0.2218	0.5
Brugia malayi	GnHR receptor homolog	0.0054	0.2218	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0054	0.2218	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0054	0.2218	1
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0054	0.2218	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0054	0.2218	0.5
Schistosoma mansoni	hypothetical protein	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Brugia malayi	AKH receptor	0.0054	0.2218	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	allatostatin A receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	hypothetical protein	0.0054	0.2218	0.5
Echinococcus granulosus	g protein coupled receptor	0.0054	0.2218	0.5
Brugia malayi	G-protein coupled receptor	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	g-protein coupled receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	somatostatin receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	amine GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0054	0.2218	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Trichomonas vaginalis	2-nitropropane dioxygenase precursor, putative	0.0157	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	hypothetical protein	0.0054	0.2218	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0054	0.2218	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0054	0.2218	0.5
Echinococcus granulosus	somatostatin receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	histamine h1 receptor	0.0054	0.2218	0.5
Schistosoma mansoni	opsin-like receptor	0.0054	0.2218	0.5
Brugia malayi	G-protein coupled receptor	0.0054	0.2218	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0054	0.2218	0.5
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0054	0.2218	1
Echinococcus multilocularis	orexin receptor type 2	0.0054	0.2218	0.5
Brugia malayi	sulfakinin receptor protein	0.0054	0.2218	1
Echinococcus granulosus	sex peptide receptor	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Brugia malayi	Dopamine receptor	0.0054	0.2218	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0054	0.2218	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0054	0.2218	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0054	0.2218	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0054	0.2218	1
Echinococcus granulosus	neuropeptide receptor	0.0054	0.2218	0.5
Brugia malayi	putative neuropeptide receptor	0.0054	0.2218	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0054	0.2218	0.5
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0054	0.2218	1
Schistosoma mansoni	amine GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	neuropeptide s receptor	0.0054	0.2218	0.5
Brugia malayi	Serotonin receptor	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	amine GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	neuropeptide receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	serotonin receptor	0.0054	0.2218	0.5
Mycobacterium tuberculosis	Possible alanine rich oxidoreductase	0.0157	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0054	0.2218	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0054	0.2218	0.5
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	amine GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0054	0.2218	0.5
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Schistosoma mansoni	hypothetical protein	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0054	0.2218	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0054	0.2218	0.5
Schistosoma mansoni	neuropeptide receptor	0.0054	0.2218	0.5
Schistosoma mansoni	adenoreceptor	0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0054	0.2218	0.5
Schistosoma mansoni	opsin-like receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0054	0.2218	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	myosin xvIII	0.0054	0.2218	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Mycobacterium ulcerans	2-nitropropane dioxygenase	0.0157	1	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0054	0.2218	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0054	0.2218	0.5
Brugia malayi	neuropeptide F receptor	0.0054	0.2218	1
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	G protein coupled receptor 139	0.0054	0.2218	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0054	0.2218	0.5
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0054	0.2218	0.5
Echinococcus granulosus	orexin receptor type 2	0.0054	0.2218	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0054	0.2218	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0054	0.2218	0.5
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0054	0.2218	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Brugia malayi	larval opioid receptor	0.0054	0.2218	1
Schistosoma mansoni	opsin-like receptor	0.0054	0.2218	0.5
Brugia malayi	Serotonin receptor	0.0054	0.2218	1
Brugia malayi	Melatonin receptor type 1A	0.0054	0.2218	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	sex peptide receptor	0.0054	0.2218	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	g-protein coupled receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0054	0.2218	0.5
Brugia malayi	RE15519p	0.0054	0.2218	1
Echinococcus multilocularis	neuropeptide receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0054	0.2218	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptide receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	biogenic amine receptor	0.0054	0.2218	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0054	0.2218	1
Brugia malayi	G protein-coupled receptor	0.0054	0.2218	1
Echinococcus granulosus	hypothetical protein	0.0054	0.2218	0.5
Echinococcus granulosus	g protein coupled receptor	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Echinococcus multilocularis	serotonin receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0054	0.2218	0.5
Schistosoma mansoni	amine GPCR	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0054	0.2218	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0054	0.2218	1
Mycobacterium ulcerans	hypothetical protein	0.0157	1	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0054	0.2218	0.5
Brugia malayi	neuropeptide F receptor	0.0054	0.2218	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0054	0.2218	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0054	0.2218	1
Schistosoma mansoni	biogenic amine receptor	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0054	0.2218	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0054	0.2218	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0054	0.2218	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0054	0.2218	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0054	0.2218	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0054	0.2218	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0054	0.2218	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0054	0.2218	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Onchocerca volvulus		0.0054	0.2218	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0054	0.2218	1
Echinococcus granulosus	g protein coupled receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0054	0.2218	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0054	0.2218	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0054	0.2218	0.5
Brugia malayi	Dopamine receptor protein 2	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0054	0.2218	0.5
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0054	0.2218	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0054	0.2218	0.5
Echinococcus granulosus	serotonin receptor	0.0054	0.2218	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0054	0.2218	0.5
Echinococcus granulosus	fmrfamide receptor	0.0054	0.2218	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Schistosoma mansoni	neuropeptide receptor	0.0054	0.2218	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0054	0.2218	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0157	1	1
Brugia malayi	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	fmrfamide receptor	0.0054	0.2218	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0054	0.2218	0.5
Wolbachia endosymbiont of Brugia malayi	trans-2-enoyl-ACP reductase, FabK	0.0157	1	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0054	0.2218	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0054	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0054	0.2218	0.5
Onchocerca volvulus		0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0054	0.2218	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0054	0.2218	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2218	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 uM	Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK	ChEMBL.	17892940
IC50 (binding)	= 2 uM	Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK	ChEMBL.	17892940
IC50 (binding)	= 7.6 uM	Inhibition of Streptococcus pneumoniae KU197 FabK	ChEMBL.	17600706
IC50 (binding)	= 7.6 uM	Inhibition of Streptococcus pneumoniae KU197 FabK	ChEMBL.	17600706
IC50 (binding)	> 32 uM	Inhibition of Escherichia coli enoyl-ACP reductase FabI	ChEMBL.	17892940
IC50 (binding)	> 32 uM	Inhibition of Escherichia coli FabI	ChEMBL.	17600706
IC50 (binding)	> 32 uM	Inhibition of Escherichia coli enoyl-ACP reductase FabI	ChEMBL.	17892940
MIC (functional)	= 16 ug ml-1	Antibacterial activity against Streptococcus pneumoniae KU197 mutant by broth microdilution method	ChEMBL.	17892940
MIC (functional)	= 16 ug ml-1	Antibacterial activity against Streptococcus pneumoniae KU197	ChEMBL.	17600706

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: CHEMBL441138

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 448836