TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.36 | Formula: C25H22Cl2N2O2
H donors: 0 H acceptors: 2 LogP: 7.12 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)N1N(c2ccc(cc2)Cl)C(=O)C(C1=O)CCCCc1ccccc1
InChi: 1S/C25H22Cl2N2O2/c26-19-10-14-21(15-11-19)28-24(30)23(9-5-4-8-18-6-2-1-3-7-18)25(31)29(28)22-16-12-20(27)13-17-22/h1-3,6-7,10-17,23H,4-5,8-9H2
InChiKey: HDPPBOUCXWPAML-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
Escherichia coli	UDP-N-acetylenolpyruvoylglucosamine reductase, FAD-binding	Starlite/ChEMBL	References
Staphylococcus aureus	UDP-N-acetylmuramate dehydrogenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylenolpyruvoylglucosamine reductase	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
Chlamydia trachomatis	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium leprae	PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE)	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

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)	nuclear receptor NHR-67	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Brugia malayi	Nuclear hormone receptor-like 1	0.0737	0.5084	0.5084
Plasmodium vivax	DNA gyrase subunit A, putative	0.0261	0.153	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1494	0.1494
Brugia malayi	nuclear hormone receptor	0.0658	0.4494	0.4494
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0637	0.4332	0.4332
Echinococcus granulosus	carbonic anhydrase	0.0257	0.1494	0.1494
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1396	1	1
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0218	0.1207	0.0805
Schistosoma mansoni	thyroid hormone receptor	0.1396	1	1
Trypanosoma brucei	carbonic anhydrase-like protein	0.0637	0.4332	1
Schistosoma mansoni	retinoic acid receptor RXR	0.1396	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.1396	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0637	0.4332	0.4332
Chlamydia trachomatis	UDP-N-acetylenolpyruvoylglucosamine reductase	0.1286	0.9182	1
Echinococcus granulosus	carbonic anhydrase	0.0257	0.1494	0.1494
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0257	0.1494	0.1494
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Echinococcus multilocularis	geminin	0.0175	0.0888	0.0888
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1396	1	1
Brugia malayi	nuclear receptor RXR	0.0737	0.5084	0.5084
Mycobacterium tuberculosis	Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase)	0.1286	0.9182	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1396	1	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0257	0.1494	0.1494
Loa Loa (eye worm)	DR-78	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1494	0.1494
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1396	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0257	0.1494	0.1494
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0261	0.153	0.1169
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA	0.0556	0.3726	0.3704
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0257	0.1494	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Brugia malayi	hypothetical protein	0.0737	0.5084	0.5084
Brugia malayi	nuclear receptor NHR-88	0.1396	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1396	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1396	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0658	0.4494	0.4494
Plasmodium falciparum	DNA gyrase subunit A	0.0261	0.153	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0637	0.4332	1
Echinococcus multilocularis	carbonic anhydrase	0.0257	0.1494	0.1494
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1396	1	1
Chlamydia trachomatis	DNA gyrase subunit A	0.0261	0.153	0.1486
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Chlamydia trachomatis	DNA gyrase subunit B	0.0126	0.0517	0.036
Onchocerca volvulus		0.1396	1	1
Echinococcus granulosus	FTZ F1 alpha	0.1396	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1396	1	1
Brugia malayi	hypothetical protein	0.0658	0.4494	0.4494
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0218	0.1207	0.1127
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0637	0.4332	0.4332
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	0.5355	0.5584
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0737	0.5084	0.5084
Brugia malayi	Nuclear hormone receptor-like 1	0.0737	0.5084	0.5084
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0658	0.4494	0.4494
Brugia malayi	photoreceptor-specific nuclear receptor	0.1396	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0658	0.4494	0.4494
Schistosoma mansoni	nuclear hormone receptor	0.0658	0.4494	0.4494
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0658	0.4494	0.4494
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0658	0.4494	0.4494
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1396	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0261	0.153	1
Brugia malayi	Nuclear hormone receptor E75	0.0658	0.4494	0.4494
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0257	0.1494	0.1494
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0658	0.4494	0.4494
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0658	0.4494	0.4494
Brugia malayi	hypothetical protein	0.0658	0.4494	0.4494
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1396	1	1
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylenolpyruvoylglucosamine reductase	0.1286	0.9182	1
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0057	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1396	1	1
Treponema pallidum	UDP-N-acetylenolpyruvoylglucosamine reductase	0.1286	0.9182	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0737	0.5084	0.5084
Plasmodium falciparum	carbonic anhydrase	0.0257	0.1494	0.9766
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Schistosoma mansoni	carbonic anhydrase-related	0.0257	0.1494	0.1494
Brugia malayi	nuclear receptor NHR-88	0.0658	0.4494	0.4494
Echinococcus multilocularis	FTZ F1 alpha	0.1396	1	1
Schistosoma mansoni	carbonic anhydrase	0.0257	0.1494	0.1494
Brugia malayi	tailless protein	0.0658	0.4494	0.4494
Onchocerca volvulus		0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0658	0.4494	0.4494
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0257	0.1494	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0658	0.4494	0.4494
Schistosoma mansoni	nuclear receptor	0.0658	0.4494	0.4494
Brugia malayi	nuclear hormone receptor family member odr-7	0.0658	0.4494	0.4494
Brugia malayi	Steroid receptor seven-up type 2	0.1396	1	1
Schistosoma mansoni	hypothetical protein	0.0175	0.0888	0.0888
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1396	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.1396	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1396	1	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0637	0.4332	0.4332
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0658	0.4494	0.4494
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1396	1	1
Echinococcus multilocularis	carbonic anhydrase	0.0257	0.1494	0.1494
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1396	1	1
Echinococcus granulosus	carbonic anhydrase	0.0257	0.1494	0.1494
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0257	0.1494	0.1494
Brugia malayi	nuclear receptor NHR-67	0.0658	0.4494	0.4494
Schistosoma mansoni	hypothetical protein	0.0175	0.0888	0.0888
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1396	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1396	1	1
Brugia malayi	nuclear receptor RXR	0.0658	0.4494	0.4494
Brugia malayi	conserved hypotetical protein	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Schistosoma mansoni	hypothetical protein	0.0257	0.1494	0.1494
Schistosoma mansoni	nuclear hormone receptor	0.1396	1	1
Mycobacterium ulcerans	DNA gyrase subunit A	0.0261	0.153	0.1169
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1396	1	1
Entamoeba histolytica	DNA topoisomerase II, putative	0.0057	0	0.5
Chlamydia trachomatis	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	0.5355	0.5743
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0737	0.5084	0.5084
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1396	1	1
Schistosoma mansoni	thyroid hormone receptor	0.1396	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1396	1	1
Plasmodium vivax	DNA gyrase subunit B, putative	0.0126	0.0517	0.3378
Brugia malayi	nuclear hormone receptor	0.1396	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1396	1	1
Echinococcus granulosus	carbonic anhydrase II	0.0637	0.4332	0.4332
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0737	0.5084	0.5084
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Plasmodium falciparum	DNA gyrase subunit B	0.0126	0.0517	0.3378
Schistosoma mansoni	zinc finger protein	0.0658	0.4494	0.4494
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0658	0.4494	0.4494
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1396	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0658	0.4494	0.4494
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0737	0.5084	0.5084
Loa Loa (eye worm)	carbonic anhydrase 3	0.0637	0.4332	0.4332
Schistosoma mansoni	coup transcription factor	0.1396	1	1
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0218	0.1207	0.0796
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0658	0.4494	0.4494
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1396	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.1396	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1396	1	1
Mycobacterium leprae	PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE)	0.1286	0.9182	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1396	1	1
Echinococcus multilocularis	carbonic anhydrase	0.0257	0.1494	0.1494
Mycobacterium leprae	PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA	0.0556	0.3726	0.371
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1396	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1396	1	1
Echinococcus multilocularis	carbonic anhydrase II	0.0637	0.4332	0.4332
Onchocerca volvulus	Bile acid receptor homolog	0.1396	1	1
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0073	0.0121	0.0788
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1396	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0658	0.4494	0.4494
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0637	0.4332	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0658	0.4494	0.4494
Leishmania major	carbonic anhydrase-like protein	0.0637	0.4332	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0737	0.5084	0.5084
Echinococcus granulosus	ecdysone induced protein 78C	0.1396	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1396	1	1
Echinococcus granulosus	geminin	0.0175	0.0888	0.0888
Toxoplasma gondii	hypothetical protein	0.0257	0.1494	0.9766
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1494	0.1494
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1396	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1396	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0658	0.4494	0.4494
Mycobacterium ulcerans	UDP-N-acetylenolpyruvoylglucosamine reductase	0.1286	0.9182	1
Loa Loa (eye worm)	hypothetical protein	0.0737	0.5084	0.5084
Loa Loa (eye worm)	steroid hormone receptor	0.1396	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1396	1	1
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0737	0.5084	0.5084
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1396	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1396	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1396	1	1
Treponema pallidum	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	0.5355	0.5584
Loa Loa (eye worm)	hypothetical protein	0.1396	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0658	0.4494	0.4494
Echinococcus granulosus	nuclear receptor nhr 48	0.0658	0.4494	0.4494
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1396	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0737	0.5084	0.5084
Onchocerca volvulus		0.0658	0.4494	0.4494
Brugia malayi	hypothetical protein	0.0737	0.5084	0.5084
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0658	0.4494	0.4494
Brugia malayi	Nuclear hormone receptor-like 1	0.1396	1	1
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0261	0.153	0.1169
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0218	0.1207	0.7889
Brugia malayi	steroid hormone receptor	0.1396	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0658	0.4494	0.4494
Schistosoma mansoni	nuclear receptor	0.0658	0.4494	0.4494
Schistosoma mansoni	carbonic anhydrase-related	0.0257	0.1494	0.1494
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0774	0.5355	0.5584
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Brugia malayi	ecdysone receptor	0.0658	0.4494	0.4494
Echinococcus granulosus	thyroid hormone receptor alpha	0.0658	0.4494	0.4494
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0637	0.4332	0.4332
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4494	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0737	0.5084	0.5084
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0261	0.153	0.1169
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1396	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.6 uM	Inhibitory concentration against MurB enzyme in Escherichia coli	ChEMBL.	15863310
IC50 (binding)	= 5.6 uM	Inhibitory concentration against MurB enzyme in Escherichia coli	ChEMBL.	15863310
IC50 (binding)	= 6.8 uM	Inhibitory concentration against MurB enzyme in Staphylococcus aureus	ChEMBL.	15863310
IC50 (binding)	= 6.8 uM	Inhibitory concentration against MurB enzyme in Staphylococcus aureus	ChEMBL.	15863310
IC50 (binding)	= 23.8 uM	Inhibitory concentration against MurA enzyme in Escherichia coli	ChEMBL.	15863310
IC50 (binding)	= 23.8 uM	Inhibitory concentration against MurA enzyme in Escherichia coli	ChEMBL.	15863310
MIC (functional)	= 25 uM	Minimum inhibitory concentration against cell wall biosynthesis of penicillin resistant Streptococcus pneumoniae GC 1894 (PRSP)	ChEMBL.	15863310
MIC (functional)	= 100 uM	Minimum inhibitory concentration against cell wall biosynthesis of vancomycin resistant Enterococcus faecalis GC 2242 (VRE)	ChEMBL.	15863310
MIC (functional)	= 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of methicillin resistant Staphylococcus aureus GC 1131	ChEMBL.	15863310
MIC (functional)	= 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of methicillin susceptible Staphylococcus aureus GC 4543	ChEMBL.	15863310
MIC (functional)	= 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of vancomycin susceptible (ATCC) Enterococcus faecalis GC 4555	ChEMBL.	15863310
MIC (functional)	> 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of penicillin resistant Streptococcus pneumoniae GC 1894 (PRSP) in the presence of 4% bovine serum albumin	ChEMBL.	15863310
MIC (functional)	= 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of methicillin-susceptible Coagulase negative staphylococcus GC 646 (MSCNS)	ChEMBL.	15863310
MIC (functional)	> 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of Escherichia coli GC 4559	ChEMBL.	15863310
MIC (functional)	> 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of Escherichia coli GC 4560	ChEMBL.	15863310
MIC (functional)	> 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of Escherichia coli GC 4559	ChEMBL.	15863310
MIC (functional)	> 200 uM	Minimum inhibitory concentration against cell wall biosynthesis of Escherichia coli GC 4560	ChEMBL.	15863310

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: CHEMBL371783

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 338287