TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 563.62 | Formula: C26H33N3O9S
H donors: 4 H acceptors: 7 LogP: 1.3 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc1ccccc1N1CCC(CC1)CC(=O)O
InChi: 1S/C26H33N3O9S/c1-37-21-15-22(38-2)23(14-19(21)28-24(30)7-8-25(31)32)39(35,36)27-16-18-5-3-4-6-20(18)29-11-9-17(10-12-29)13-26(33)34/h3-6,14-15,17,27H,7-13,16H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)
InChiKey: BMIKOSBWXPCSLE-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
Escherichia coli	fused N-acetyl glucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyl transferase	Starlite/ChEMBL	References
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Bifunctional protein GlmU	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	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
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	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

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)	SRC-1	0.0018	0.0045	0.0441
Echinococcus multilocularis	c src tyrosine kinase	0.0018	0.0045	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0606	0.6227
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0046	0.0248	0.9683
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0168	0.0174
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0095	0.0606	0.6227
Echinococcus multilocularis	chromobox protein 1	0.0067	0.0402	0.0402
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0256	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0018	0.0045	0.0044
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0256	0.0271
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0011	0.0147
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0256	1
Entamoeba histolytica	hypothetical protein	0.0034	0.016	0.6262
Brugia malayi	Variant SH3 domain containing protein	0.0016	0.0028	0.0429
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0011	0.0092
Schistosoma mansoni	cellular tumor antigen P53	0.0145	0.0971	0.0971
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0015	0.0023	0.05
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0018	0.0045	0.0044
Onchocerca volvulus		0.0047	0.0256	0.255
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0256	0.0271
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0168	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0046	0.0248	0.9695
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0186	0.4613
Mycobacterium leprae	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.1243	0.9038	1
Schistosoma mansoni	microtubule-associated protein tau	0.1374	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0023	0.0565
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0018	0.0045	0.0044
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0014	0.0011	0.0147
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0015	0.0023	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0971	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0207	0.2038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0023	0.0565
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0015	0.0023	0.05
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0034	0.016	0.016
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Trichomonas vaginalis	antibiotic synthetase, putative	0.0014	0.0011	0.027
Echinococcus granulosus	tumor protein p63	0.0988	0.7166	0.7166
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0129	0.0129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0248	0.6162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.011	0.2723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0112	0.2773
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0014	0.0011	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0168	0.1714
Schistosoma mansoni	vav2	0.0013	0.0002	0.0001
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.1243	0.9038	0.5
Schistosoma mansoni	tyrosine kinase	0.0018	0.0045	0.0044
Schistosoma mansoni	growth factor receptor-bound protein	0.0016	0.0028	0.0027
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0046	0.0248	0.9695
Schistosoma mansoni	tyrosine kinase	0.0018	0.0045	0.0044
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0046	0.0248	1
Mycobacterium ulcerans	molybdopterin-guanine dinucleotide biosynthesis protein A	0.0125	0.083	0.0908
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0168	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2288
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.011	0.2723
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0207	0.5134
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0011	0.0147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0179	0.4439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0129	0.3207
Giardia lamblia	GTOR	0.0046	0.0248	0.5
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0011	0.0092
Entamoeba histolytica	hypothetical protein	0.0034	0.016	0.6262
Trichomonas vaginalis	chromobox protein, putative	0.0067	0.0402	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0168	0.1714
Loa Loa (eye worm)	phosphatidylinositol 3	0.0046	0.0248	0.2538
Schistosoma mansoni	transcription factor LCR-F1	0.0034	0.016	0.016
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0207	0.5134
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0018	0.0045	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0198	0.4931
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0018	0.0045	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0168	0.1714
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0046	0.0248	1
Echinococcus multilocularis	chromobox protein 1	0.0067	0.0402	0.0402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0112	0.2773
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0037	0.0179	0.6862
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.2618
Echinococcus multilocularis	GPCR, family 2	0.003	0.0129	0.0129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0179	0.4439
Schistosoma mansoni	chromobox protein	0.0067	0.0402	0.0402
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0105	0.2606
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0451	0.3224	0.3223
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0256	0.4204
Entamoeba histolytica	hypothetical protein	0.0034	0.016	0.6262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2281
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0015	0.0023	0.0485
Schistosoma mansoni	nck2/grb4	0.0016	0.0028	0.0027
Loa Loa (eye worm)	heterochromatin protein 1	0.0067	0.0402	0.4132
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0161	0.1834
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0256	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0105	0.2606
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0069	0.2467
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0256	0.4204
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0015	0.0023	0.0022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Schistosoma mansoni	hypothetical protein	0.0034	0.016	0.016
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0256	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0179	0.4439
Onchocerca volvulus		0.003	0.0126	0.1198
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0018	0.0045	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0018	0.0045	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0011	0.0092
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0018	0.0045	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.2618
Trypanosoma cruzi	target of rapamycin kinase 3	0.0037	0.0179	0.7087
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0015	0.0023	0.0022
Loa Loa (eye worm)	hypothetical protein	0.003	0.0126	0.1278
Brugia malayi	hypothetical protein	0.0034	0.016	0.2624
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0154	0.0159
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0125	0.083	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0016	0.0028	0.0027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0018	0.0045	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0248	0.6162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0179	0.4439
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.005	0.1644
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0046	0.0248	0.0247
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0034	0.016	0.016
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0046	0.0248	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0018	0.0045	0.0708
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0011	0.0147
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0015	0.0023	0.05
Schistosoma mansoni	tyrosine kinase	0.0018	0.0045	0.0044
Brugia malayi	SRC-1	0.0018	0.0045	0.0708
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0256	0.0271
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0046	0.0248	0.4076
Schistosoma mansoni	growth factor receptor-bound protein	0.0016	0.0028	0.0027
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0046	0.0248	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0186	0.1895
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0095	0.0606	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0112	0.2773
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0129	0.0129
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0018	0.0045	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0028	0.0267
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0018	0.0045	0.0044
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0154	0.0159
Onchocerca volvulus		0.0145	0.0971	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0256	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0168	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0125	0.083	0.0908
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0018	0.0045	0.0044
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0046	0.0248	1
Echinococcus granulosus	chromobox protein 1	0.0067	0.0402	0.0402
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0023	0.0344
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0016	0.0028	0.0027
Echinococcus granulosus	NCK adaptor protein	0.0016	0.0028	0.0027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0023	0.0565
Brugia malayi	Variant SH3 domain containing protein	0.0016	0.0028	0.0429
Mycobacterium ulcerans	hypothetical protein	0.0125	0.083	0.0908
Echinococcus granulosus	GPCR family 2	0.003	0.0129	0.0129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0023	0.0565
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0016	0.0028	0.0267
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0018	0.0045	0.0044
Trichomonas vaginalis	antibiotic synthetase, putative	0.0014	0.0011	0.027
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0256	0.2618
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0018	0.0045	0.0044
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0186	0.4613
Trichomonas vaginalis	chromobox protein, putative	0.0067	0.0402	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0154	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0092
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0161	0.4004
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0385	0.3953
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0248	0.6162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2281
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0023	0.0214
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0018	0.0045	0.0044
Brugia malayi	Heterochromatin protein 1	0.0067	0.0402	0.6635
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.1243	0.9038	1
Brugia malayi	chromobox protein homolog 3	0.0038	0.0186	0.3043
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0018	0.0045	0.0044
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0011	0.0147
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0018	0.0045	0.0044
Entamoeba histolytica	hypothetical protein	0.0034	0.016	0.6262
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0046	0.0248	0.9683
Echinococcus multilocularis	microtubule associated protein 2	0.1374	1	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0015	0.0023	0.0485
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0016	0.0028	0.0027
Brugia malayi	latrophilin 2 splice variant baaae	0.0065	0.0385	0.6349
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0256	0.0271
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0256	0.0271
Schistosoma mansoni	tyrosine kinase	0.0443	0.3165	0.3165
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0186	0.182
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0154	0.0159
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0015	0.0023	0.05
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0256	0.4204
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0014	0.0011	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2288
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0256	0.0271
Brugia malayi	Sex muscle abnormal protein 5	0.0016	0.0028	0.0429
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0129	0.1315
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0136	0.3389
Echinococcus granulosus	c src tyrosine kinase	0.0018	0.0045	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2288
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0256	0.0271
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0046	0.0248	0.0247
Echinococcus granulosus	chromobox protein 1	0.0067	0.0402	0.0402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0092	0.2288
Schistosoma mansoni	adapter molecule crk	0.0016	0.0028	0.0027
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0451	0.3224	0.3223
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0256	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0168	0.1714
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0023	0.0565
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.1243	0.9038	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0016	0.0028	0.0267
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0129	0.0129
Schistosoma mansoni	chromobox protein	0.0067	0.0402	0.0402
Treponema pallidum	licC protein (licC)	0.0125	0.083	0.5
Mycobacterium ulcerans	hypothetical protein	0.0125	0.083	0.0908
Schistosoma mansoni	acetyl-CoA synthetase	0.0014	0.0011	0.001
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0018	0.0045	0.0044
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0256	0.0271
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0129	0.2112
Echinococcus multilocularis	NCK adaptor protein	0.0016	0.0028	0.0027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0179	0.4439
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0095	0.0606	1
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0011	0.0147
Schistosoma mansoni	hypothetical protein	0.0065	0.0385	0.0385
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0014	0.0011	0.001
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0037	0.0179	0.7087
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0125	0.083	0.0908
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0256	0.0271
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0129	0.2112
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0018	0.0045	0.0044
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0256	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0256	0.0271
Schistosoma mansoni	tyrosine kinase	0.0018	0.0045	0.0044
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0256	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0168	0.0174
Echinococcus multilocularis	tumor protein p63	0.0988	0.7166	0.7166
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0168	0.1714
Loa Loa (eye worm)	hypothetical protein	0.003	0.0129	0.1315

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.398	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate	ChEMBL.	25544688
IC50 (binding)	= 0.4 uM	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate	ChEMBL.	25544688
IC50 (binding)	= 2 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: CHEMBL1951187

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 1613165