TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 460.805 | Formula: C24H13ClF4O3
H donors: 1 H acceptors: 2 LogP: 6.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1O/C(=C\c2cccc(c2Cl)C(F)(F)F)/C(=C1c1ccc(c(c1)F)c1ccccc1)O
InChi: 1S/C24H13ClF4O3/c25-21-15(7-4-8-17(21)24(27,28)29)12-19-22(30)20(23(31)32-19)14-9-10-16(18(26)11-14)13-5-2-1-3-6-13/h1-12,30H/b19-12-
InChiKey: CSKFMQQWOJPLTA-UNOMPAQXSA-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
Escherichia coli	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Starlite/ChEMBL	References
Escherichia coli	UDP-N-acetylmuramate:L-alanine ligase	Starlite/ChEMBL	References
Escherichia coli	UDP-N-acetylenolpyruvoylglucosamine reductase, FAD-binding	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	UDP-N-acetylmuramate--L-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Chlamydia trachomatis	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Chlamydia trachomatis	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Get druggable targets OG5_131267	All targets in OG5_131267
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Get druggable targets OG5_131267	All targets in OG5_131267
Mycobacterium leprae	PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE)	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium tuberculosis	Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase)	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium ulcerans	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Treponema pallidum	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Get druggable targets OG5_131267	All targets in OG5_131267
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Get druggable targets OG5_131267	All targets in OG5_131267
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA	Get druggable targets OG5_131267	All targets in OG5_131267
Treponema pallidum	UDP-N-acetylmuramate--L-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramate-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramate-alanine ligase MurC	Get druggable targets OG5_132146	All targets in OG5_132146
Chlamydia trachomatis	bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Mycobacterium leprae	PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA	Get druggable targets OG5_131267	All targets in OG5_131267
Mycobacterium leprae	Probable UDP-N-acetylmuramate-alanine ligase MurC	Get druggable targets OG5_132146	All targets in OG5_132146

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
Loa Loa (eye worm)	melatonin receptor type 1A	0.0095	0.0576	0.1872
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0218	0.2289	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0218	0.2289	0.5
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0095	0.0576	0.3778
Echinococcus multilocularis	g protein coupled receptor	0.0095	0.0576	0.1872
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	1	1
Echinococcus granulosus	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	amine GPCR	0.0095	0.0576	0.3778
Echinococcus granulosus	neuropeptide receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	7TM GPCR rhodopsin	0.0095	0.0576	0.1872
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0095	0.0576	0.1872
Echinococcus multilocularis	neuropeptides capa receptor	0.0095	0.0576	0.1872
Brugia malayi	G-protein coupled receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	RE15519p	0.0095	0.0576	0.1872
Echinococcus multilocularis	neuropeptide Y receptor	0.0095	0.0576	0.1872
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0095	0.0576	0.722
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0095	0.0576	0.1872
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	dro:myosuppressin receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus granulosus	tm gpcr rhodopsin	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Schistosoma mansoni	amine GPCR	0.0095	0.0576	0.3778
Loa Loa (eye worm)	G-protein coupled receptor	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Schistosoma mansoni	hypothetical protein	0.0056	0.004	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	hypothetical protein	0.0095	0.0576	0.3778
Loa Loa (eye worm)	TYRA-2 protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	orexin receptor type 2	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	biogenic amine receptor	0.0095	0.0576	0.3778
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	growth hormone secretagogue receptor	0.0095	0.0576	0.3778
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0095	0.0576	0.1872
Brugia malayi	ORL1-like opioid receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Brugia malayi	Dopamine receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Onchocerca volvulus		0.0095	0.0576	0.722
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	hypothetical protein	0.0095	0.0576	0.3778
Mycobacterium leprae	Probable UDP-N-acetylmuramate-alanine ligase MurC	0.0216	0.2259	0.2194
Schistosoma mansoni	biogenic amine receptor	0.0095	0.0576	0.3778
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	AKH receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide receptor	0.0095	0.0576	0.3778
Brugia malayi	follicle stimulating hormone receptor	0.0095	0.0576	0.1872
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0095	0.0576	0.3778
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0218	0.2289	0.2233
Echinococcus granulosus	survival motor neuron protein 1	0.0275	0.3077	1
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA	0.0556	0.6973	0.8401
Echinococcus granulosus	biogenic amine 5HT receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0095	0.0576	0.1872
Brugia malayi	neuropeptide F receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	tm gpcr rhodopsin	0.0095	0.0576	0.1872
Echinococcus multilocularis	G protein coupled receptor 139	0.0095	0.0576	0.1872
Mycobacterium leprae	PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA	0.0556	0.6973	0.8401
Echinococcus multilocularis	somatostatin receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	neuropeptide FF receptor 2	0.0095	0.0576	0.1872
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0095	0.0576	0.3778
Onchocerca volvulus		0.0095	0.0576	0.722
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0095	0.0576	0.3778
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0095	0.0576	0.1872
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0095	0.0576	0.3778
Onchocerca volvulus		0.0095	0.0576	0.722
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE)	0.0188	0.1871	0.1358
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0095	0.0576	0.1872
Schistosoma mansoni	amine GPCR	0.0095	0.0576	0.3778
Onchocerca volvulus		0.0095	0.0576	0.722
Onchocerca volvulus		0.011	0.0782	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0095	0.0576	0.3778
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Treponema pallidum	UDP-N-acetylmuramate--L-alanine ligase	0.0404	0.4869	0.4545
Brugia malayi	Serotonin receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide F-like receptor	0.0095	0.0576	0.3778
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0095	0.0576	0.1872
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramate-alanine ligase	0.0404	0.4869	0.4545
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.004	0.0131
Echinococcus multilocularis	neuropeptide receptor	0.0095	0.0576	0.1872
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0189	0.189	0.6144
Onchocerca volvulus		0.0095	0.0576	0.722
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.0188	0.1871	0.1358
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Chlamydia trachomatis	bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase	0.0404	0.4869	0.4545
Brugia malayi	Serotonin receptor	0.0095	0.0576	0.1872
Brugia malayi	putative neuropeptide receptor NPR1	0.0095	0.0576	0.1872
Schistosoma mansoni	histamine h1 receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0095	0.0576	0.3778
Onchocerca volvulus		0.0095	0.0576	0.722
Echinococcus granulosus	7tm_1 domain containing protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	survival motor neuron protein	0.0056	0.004	0.0264
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0095	0.0576	0.3778
Echinococcus granulosus	somatostatin receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Echinococcus multilocularis	g protein coupled receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Brugia malayi	G protein-coupled receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	serotonin receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Loa Loa (eye worm)	G-protein coupled receptor	0.0095	0.0576	0.1872
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide F-like receptor	0.0095	0.0576	0.3778
Echinococcus granulosus	lysosomal alpha glucosidase	0.0189	0.189	0.6144
Echinococcus multilocularis	g-protein coupled receptor	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0095	0.0576	0.1872
Echinococcus multilocularis	neuropeptide receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	neuropeptide Y receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0095	0.0576	0.3778
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0095	0.0576	0.3778
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	Melatonin receptor type 1A	0.0095	0.0576	0.1872
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0095	0.0576	0.1872
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0095	0.0576	0.1872
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Schistosoma mansoni	amine GPCR	0.0095	0.0576	0.3778
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0275	0.3077	1
Echinococcus multilocularis	neuropeptide s receptor	0.0095	0.0576	0.1872
Brugia malayi	GnHR receptor homolog	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0218	0.2289	0.1803
Echinococcus multilocularis	fmrfamide receptor	0.0095	0.0576	0.1872
Brugia malayi	sulfakinin receptor protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	alpha-glucosidase	0.0163	0.1524	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Echinococcus multilocularis	allatostatin A receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0095	0.0576	0.1872
Echinococcus granulosus	orexin receptor type 2	0.0095	0.0576	0.1872
Treponema pallidum	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.8187	0.8073
Echinococcus granulosus	g protein coupled receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Echinococcus granulosus	G protein coupled receptor 139	0.0095	0.0576	0.1872
Brugia malayi	neuropeptide F receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	tm gpcr rhodopsin	0.0095	0.0576	0.1872
Mycobacterium leprae	ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.0188	0.1871	0.1683
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0095	0.0576	0.1872
Schistosoma mansoni	amine GPCR	0.0095	0.0576	0.3778
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0189	0.189	0.6144
Brugia malayi	larval opioid receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	hypothetical protein	0.0095	0.0576	0.3778
Echinococcus multilocularis	neuropeptide receptor A26	0.0095	0.0576	0.1872
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase	0.0188	0.1871	0.1358
Mycobacterium tuberculosis	Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase)	0.0643	0.8187	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	1	1
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramate-alanine ligase MurC	0.0216	0.2259	0.2194
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF)	0.0188	0.1871	0.1358
Chlamydia trachomatis	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminoligase	0.0188	0.1871	0.1358
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide receptor	0.0095	0.0576	0.3778
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0095	0.0576	0.1872
Mycobacterium ulcerans	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.8187	0.8073
Loa Loa (eye worm)	neuropeptide F receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	adenoreceptor	0.0095	0.0576	0.3778
Echinococcus granulosus	neuropeptide Y receptor	0.0095	0.0576	0.1872
Mycobacterium leprae	PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE)	0.0643	0.8187	1
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	1	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0275	0.3077	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0095	0.0576	0.3778
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0095	0.0576	0.1872
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.8187	0.8073
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Echinococcus granulosus	neuropeptides capa receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0095	0.0576	0.1872
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	neuropeptide f receptor 76f	0.0095	0.0576	0.3778
Echinococcus granulosus	neuropeptide Y receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	fmrfamide receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	g-protein coupled receptor	0.0095	0.0576	0.1872
Brugia malayi	Dopamine receptor protein 1	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Schistosoma mansoni	opsin-like receptor	0.0095	0.0576	0.3778
Onchocerca volvulus		0.0095	0.0576	0.722
Schistosoma mansoni	opsin-like receptor	0.0095	0.0576	0.3778
Echinococcus granulosus	neuropeptide s receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus granulosus	g protein coupled receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0095	0.0576	0.3778
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0189	0.189	0.6144
Echinococcus granulosus	neuropeptide receptor	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Echinococcus multilocularis	sex peptide receptor	0.0095	0.0576	0.1872
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0189	0.189	0.6144
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	G protein-coupled receptor F59B2.13	0.0095	0.0576	0.1872
Loa Loa (eye worm)	neuropeptide F receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0095	0.0576	0.1872
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0095	0.0576	0.1872
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0095	0.0576	0.722
Echinococcus granulosus	biogenic amine 5HT receptor	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722
Brugia malayi	G-protein coupled receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus granulosus	allatostatin A receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus granulosus	neuropeptides capa receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	biogenic amine receptor	0.0095	0.0576	0.3778
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	dro:myosuppressin receptor	0.0095	0.0576	0.1872
Echinococcus multilocularis	g protein coupled receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.0188	0.1871	0.1683
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0095	0.0576	0.1872
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0095	0.0576	0.3778
Echinococcus granulosus	neuropeptide receptor A26	0.0095	0.0576	0.1872
Echinococcus multilocularis	serotonin receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	neuropeptides capa receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	myosin xvIII	0.0095	0.0576	0.3778
Echinococcus multilocularis	fmrfamide receptor	0.0095	0.0576	0.1872
Mycobacterium ulcerans	UDP-N-acetylmuramate--L-alanine ligase	0.0404	0.4869	0.4545
Schistosoma mansoni	opsin-like receptor	0.0095	0.0576	0.3778
Schistosoma mansoni	hypothetical protein	0.0095	0.0576	0.3778
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	Dopamine receptor protein 2	0.0095	0.0576	0.1872
Brugia malayi	hypothetical protein	0.0095	0.0576	0.1872
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0095	0.0576	0.1872
Chlamydia trachomatis	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.8187	0.8073
Brugia malayi	hypothetical protein	0.0275	0.3077	1
Brugia malayi	putative neuropeptide receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0095	0.0576	0.1872
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl pentapeptide synthase	0.0188	0.1871	0.1358
Echinococcus granulosus	serotonin receptor	0.0095	0.0576	0.1872
Echinococcus granulosus	sex peptide receptor	0.0095	0.0576	0.1872
Schistosoma mansoni	alpha-glucosidase	0.0163	0.1524	1
Echinococcus granulosus	g protein coupled receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0095	0.0576	0.1872
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0576	0.1872
Onchocerca volvulus		0.0095	0.0576	0.722

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 ug ml-1	Inhibitory activity against MurB in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 1 ug ml-1	Inhibitory activity against MurA in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 1 ug ml-1	Inhibitory activity against MurB in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 1 ug ml-1	Inhibitory activity against MurA in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 10 ug ml-1	Inhibitory activity against MurC in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 10 ug ml-1	Inhibitory activity against MurC in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 16 ug ml-1	Inhibitory activity against MurD in Escherichia coli	ChEMBL.	16216496
IC50 (binding)	= 16 ug ml-1	Inhibitory activity against MurD in Escherichia coli	ChEMBL.	16216496
MIC (functional)	= 0.25 ug ml-1	Antibacterial activity against pencillin resistant Streptococcus pneumoniae	ChEMBL.	16216496
MIC (functional)	= 0.5 ug ml-1	Antibacterial activity against vancomycin resistant Enterococcus faecalis	ChEMBL.	16216496
MIC (functional)	= 1 ug ml-1	Antibacterial activity against methicillin resistant Staphylococcus aureus	ChEMBL.	16216496
MIC (functional)	= 1 ug ml-1	Antibacterial activity against Staphylococcus aureus	ChEMBL.	16216496
MIC (functional)	= 2 ug ml-1	Antibacterial activity against Enterococcus faecalis	ChEMBL.	16216496

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: CHEMBL199629

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 348727