TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 542.558 | Formula: C26H26N2O9S
H donors: 4 H acceptors: 7 LogP: 2.08 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)c(cc1S(=O)(=O)NCc1ccccc1c1ccc(cc1)C(=O)O)NC(=O)CCC(=O)O
InChi: 1S/C26H26N2O9S/c1-36-21-14-22(37-2)23(13-20(21)28-24(29)11-12-25(30)31)38(34,35)27-15-18-5-3-4-6-19(18)16-7-9-17(10-8-16)26(32)33/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)
InChiKey: ZJOBJQWOISSDKX-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Bifunctional protein GlmU	Starlite/ChEMBL	References
Escherichia coli	fused N-acetyl glucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyl transferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	Get druggable targets OG5_131193	All targets in OG5_131193
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	Get druggable targets OG5_131193	All targets in OG5_131193
Mycobacterium leprae	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	Get druggable targets OG5_131193	All targets in OG5_131193
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	Get druggable targets OG5_131193	All targets in OG5_131193

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)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	myosin xvIII	0.0023	0.0072	0.0209
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0023	0.0072	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0023	0.0072	0.0053
Echinococcus multilocularis	neuropeptide receptor A26	0.0023	0.0072	0.0042
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Brugia malayi	Dopamine receptor	0.0023	0.0072	0.0053
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0023	0.0072	0.0042
Echinococcus multilocularis	dro:myosuppressin receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	hypothetical protein	0.0023	0.0072	0.0209
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.1243	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	neuropeptide receptor	0.0435	0.3425	1
Brugia malayi	GnHR receptor homolog	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus multilocularis	neuropeptide Y receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	neuropeptide F receptor	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0114	0.0214
Echinococcus multilocularis	neuropeptides capa receptor	0.0023	0.0072	0.0042
Echinococcus multilocularis	roundabout 2	0.0034	0.0159	0.0302
Echinococcus multilocularis	neuropeptide Y receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	neuropeptides capa receptor	0.0023	0.0072	0.0042
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	amine GPCR	0.0023	0.0072	0.0209
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0023	0.0072	0.0042
Echinococcus granulosus	7TM GPCR rhodopsin	0.0023	0.0072	0.0042
Echinococcus granulosus	neuroglian	0.0027	0.0102	0.0133
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	g protein coupled receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0023	0.0072	0.0053
Echinococcus granulosus	neuropeptide Y receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0028	0.0114	0.0169
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0023	0.0072	0.0053
Loa Loa (eye worm)	neuropeptide F receptor	0.0023	0.0072	0.0053
Echinococcus granulosus	allatostatin A receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	hypothetical protein	0.0023	0.0072	0.0209
Schistosoma mansoni	amine GPCR	0.0023	0.0072	0.0209
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0023	0.0072	0.0053
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus multilocularis	serotonin receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	g protein coupled receptor	0.0023	0.0072	0.0042
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	neuropeptide f receptor 76f	0.0023	0.0072	0.0209
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0023	0.0072	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0021	0.0057	0.0167
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	fmrfamide receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	opsin-like receptor	0.0023	0.0072	0.0209
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0023	0.0072	0.0053
Echinococcus granulosus	tm gpcr rhodopsin	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0023	0.0072	0.0053
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	adenoreceptor	0.0023	0.0072	0.0209
Echinococcus granulosus	tm gpcr rhodopsin	0.0023	0.0072	0.0042
Echinococcus multilocularis	G protein coupled receptor 139	0.0435	0.3425	1
Schistosoma mansoni	biogenic amine receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	opsin-like receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	g protein coupled receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0023	0.0072	0.0042
Onchocerca volvulus		0.0319	0.2477	0.9754
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	nephrin	0.0027	0.0102	0.0298
Echinococcus granulosus	neuropeptide receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Brugia malayi	ORL1-like opioid receptor	0.0023	0.0072	0.0053
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0125	0.0904	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	allatostatin A receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0023	0.0072	0.0042
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	biogenic amine receptor	0.0023	0.0072	0.0209
Loa Loa (eye worm)	TYRA-2 protein	0.0023	0.0072	0.0053
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0023	0.0072	0.0209
Brugia malayi	Dopamine receptor protein 1	0.0023	0.0072	0.0053
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0023	0.0072	0.0209
Brugia malayi	Dopamine receptor protein 2	0.0023	0.0072	0.0053
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0023	0.0072	0.0042
Echinococcus granulosus	dro:myosuppressin receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0023	0.0072	0.0042
Echinococcus multilocularis	fmrfamide receptor	0.0023	0.0072	0.0042
Brugia malayi	sulfakinin receptor protein	0.0023	0.0072	0.0053
Brugia malayi	Serotonin receptor	0.0023	0.0072	0.0053
Brugia malayi	putative neuropeptide receptor NPR1	0.0023	0.0072	0.0053
Schistosoma mansoni	cell adhesion molecule	0.0028	0.0114	0.0334
Schistosoma mansoni	vesicular amine transporter	0.0021	0.0057	0.0167
Schistosoma mansoni	neuropeptide F-like receptor	0.0023	0.0072	0.0209
Brugia malayi	Serotonin receptor	0.0023	0.0072	0.0053
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0023	0.0072	0.0209
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	neuropeptides capa receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	biogenic amine receptor	0.0023	0.0072	0.0209
Brugia malayi	G-protein coupled receptor	0.0023	0.0072	0.0053
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus multilocularis	serotonin receptor	0.0023	0.0072	0.0042
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.1243	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0023	0.0072	0.0042
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.1243	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0159	0.0381
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	melatonin receptor type 1A	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	G-protein coupled receptor	0.0023	0.0072	0.0053
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0023	0.0072	0.0042
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0023	0.0072	0.0042
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0023	0.0072	0.0042
Brugia malayi	G protein-coupled receptor F59B2.13	0.0023	0.0072	0.0053
Echinococcus granulosus	somatostatin receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	neuropeptide Y receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	biogenic amine 5HT receptor	0.0023	0.0072	0.0042
Brugia malayi	RE15519p	0.0023	0.0072	0.0053
Schistosoma mansoni	amine GPCR	0.0023	0.0072	0.0209
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0023	0.0072	0.0042
Echinococcus multilocularis	g-protein coupled receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	7tm_1 domain containing protein	0.0023	0.0072	0.0042
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0023	0.0072	0.0053
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	neuropeptide receptor A26	0.0023	0.0072	0.0042
Brugia malayi	larval opioid receptor	0.0023	0.0072	0.0053
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0023	0.0072	0.0053
Loa Loa (eye worm)	G-protein coupled receptor	0.0023	0.0072	0.0053
Echinococcus multilocularis	neuropeptide receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Brugia malayi	follicle stimulating hormone receptor	0.0023	0.0072	0.0053
Echinococcus granulosus	neuropeptide FF receptor 2	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	histamine h1 receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Echinococcus multilocularis	g protein coupled receptor	0.0023	0.0072	0.0042
Schistosoma mansoni	neuropeptide receptor	0.0023	0.0072	0.0209
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	fmrfamide receptor	0.0023	0.0072	0.0042
Echinococcus multilocularis	somatostatin receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Brugia malayi	Melatonin receptor type 1A	0.0023	0.0072	0.0053
Echinococcus multilocularis	orexin receptor type 2	0.0023	0.0072	0.0042
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	hypothetical protein	0.0023	0.0072	0.0042
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0023	0.0072	0.0042
Echinococcus multilocularis	g protein coupled receptor	0.0023	0.0072	0.0042
Echinococcus multilocularis	neuropeptide receptor	0.0435	0.3425	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	opsin-like receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	amine GPCR	0.0023	0.0072	0.0209
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	g-protein coupled receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	neuropeptide s receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0159	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0023	0.0072	0.0209
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0023	0.0072	0.0042
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0023	0.0072	0.0042
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus multilocularis	sex peptide receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0023	0.0072	0.0042
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0349	0.2724	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0023	0.0072	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Brugia malayi	putative neuropeptide receptor	0.0023	0.0072	0.0053
Brugia malayi	neuropeptide F receptor	0.0023	0.0072	0.0053
Schistosoma mansoni	neuropeptide receptor	0.0023	0.0072	0.0209
Echinococcus granulosus	tm gpcr rhodopsin	0.0023	0.0072	0.0042
Onchocerca volvulus	Tyrosine kinase homolog	0.0326	0.2537	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	hypothetical protein	0.0023	0.0072	0.0209
Echinococcus granulosus	twitchin	0.0027	0.0102	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	hypothetical protein	0.0023	0.0072	0.0209
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Brugia malayi	AKH receptor	0.0023	0.0072	0.0053
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	neuropeptide receptor	0.0023	0.0072	0.0209
Brugia malayi	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	neuropeptide receptor	0.0435	0.3425	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0349	0.2724	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Brugia malayi	neuropeptide F receptor	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0023	0.0072	0.0042
Echinococcus granulosus	g protein coupled receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0023	0.0072	0.0209
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.0072	0.0209
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	neuropeptide F-like receptor	0.0023	0.0072	0.0209
Echinococcus granulosus	roundabout 2	0.0034	0.0159	0.0302
Echinococcus granulosus	sex peptide receptor	0.0023	0.0072	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0023	0.0072	0.0053
Echinococcus granulosus	orexin receptor type 2	0.0023	0.0072	0.0042
Schistosoma mansoni	amine GPCR	0.0023	0.0072	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0023	0.0072	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0072	0.0053
Echinococcus granulosus	serotonin receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	G protein coupled receptor 139	0.0023	0.0072	0.0042
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0021	0.0057	0.0167
Brugia malayi	G-protein coupled receptor	0.0023	0.0072	0.0053
Echinococcus multilocularis	neuropeptides capa receptor	0.0023	0.0072	0.0042
Treponema pallidum	licC protein (licC)	0.0125	0.0904	0.5
Brugia malayi	G protein-coupled receptor	0.0023	0.0072	0.0053
Echinococcus multilocularis	neuropeptide s receptor	0.0023	0.0072	0.0042
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.0072	0.0042
Echinococcus multilocularis	neuroglian	0.0027	0.0102	0.0133

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.046	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate	ChEMBL.	25544688
IC50 (binding)	= 0.9 uM	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate	ChEMBL.	25544688
IC50 (binding)	= 15 uM	Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's method	ChEMBL.	22297115

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: CHEMBL1951185

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1612754