TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.359 | Formula: C22H25Cl2N3O2
H donors: 3 H acceptors: 2 LogP: 6.15 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(Oc1c(CNCCCNc2cc(O)c3c(n2)cccc3)cc(cc1Cl)Cl)C
InChi: 1S/C22H25Cl2N3O2/c1-14(2)29-22-15(10-16(23)11-18(22)24)13-25-8-5-9-26-21-12-20(28)17-6-3-4-7-19(17)27-21/h3-4,6-7,10-12,14,25H,5,8-9,13H2,1-2H3,(H2,26,27,28)
InChiKey: COXDQZQMNBNSOJ-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	methionyl-tRNA synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Chlamydia trachomatis	methionine--tRNA ligase	Get druggable targets OG5_127626	All targets in OG5_127626
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	Get druggable targets OG5_127626	All targets in OG5_127626
Schistosoma mansoni	methionine-tRNA synthetase	Get druggable targets OG5_127626	All targets in OG5_127626
Babesia bovis	methionyl-tRNA synthetase, putative	Get druggable targets OG5_127626	All targets in OG5_127626
Candida albicans	likely tRNA synthetase similar to S. cerevisiae MES1 (YGR264C) cytoplasmic methionyl tRNA synthetase	Get druggable targets OG5_127626	All targets in OG5_127626
Brugia malayi	methionyl-tRNA synthetase	Get druggable targets OG5_127626	All targets in OG5_127626
Schistosoma japonicum	Methionyl-tRNA synthetase, cytoplasmic, putative	Get druggable targets OG5_127626	All targets in OG5_127626
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	Get druggable targets OG5_127626	All targets in OG5_127626
Schistosoma japonicum	ko:K01874 methionyl-tRNA synthetase [EC6.1.1.10], putative	Get druggable targets OG5_127626	All targets in OG5_127626
Candida albicans	likely tRNA synthetase similar to S. cerevisiae MES1 (YGR264C) cytoplasmic methionyl tRNA synthetase	Get druggable targets OG5_127626	All targets in OG5_127626
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127626	All targets in OG5_127626
Entamoeba histolytica	methionyl-tRNA synthetase, putative	Get druggable targets OG5_127626	All targets in OG5_127626
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	Get druggable targets OG5_127626	All targets in OG5_127626
Treponema pallidum	methionyl-tRNA synthetase	Get druggable targets OG5_127626	All targets in OG5_127626

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
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0145	0.4122	1
Entamoeba histolytica	aldose reductase, putative	0.0109	0.2869	0.6856
Trypanosoma cruzi	aldo-keto reductase	0.0109	0.2869	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0306	0.0306
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0306	0.024
Echinococcus multilocularis	aldo keto reductase	0.0109	0.2869	0.2833
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0257
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0109	0.2869	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.7226	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0306	0.0621
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0137	0.0201
Toxoplasma gondii	ABC1 family protein	0.0036	0.0306	0.0599
Giardia lamblia	Aldose reductase	0.0109	0.2869	0.5
Loa Loa (eye worm)	fli-1 protein	0.0222	0.6863	0.6847
Mycobacterium tuberculosis	Probable oxidoreductase	0.0109	0.2869	0.3854
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0079	0.1824	0.6176
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0033	0.0193	0.0143
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0109	0.2869	0.4181
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.007	0.1491	0.1448
Trypanosoma brucei	aldo/keto reductase, putative	0.0032	0.0137	0.0305
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0306	0.024
Entamoeba histolytica	aldose reductase, putative	0.0109	0.2869	0.6856
Onchocerca volvulus		0.0109	0.2869	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0306	0.0447
Onchocerca volvulus		0.0036	0.0306	0.0621
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0052	0.0839	0.1223
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0032	0.0137	0.0086
Schistosoma mansoni	potassium channel beta	0.0032	0.0137	0.0137
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Plasmodium falciparum	aldehyde reductase, putative	0.0032	0.0137	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0109	0.2869	1
Toxoplasma gondii	aldo-keto reductase	0.0032	0.0137	0.0201
Trypanosoma brucei	prostaglandin f synthase	0.0109	0.2869	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0032	0.0137	0.3359
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0106	0.2764	0.2727
Echinococcus multilocularis	aldo keto reductase	0.0109	0.2869	0.2833
Echinococcus granulosus	GA binding protein alpha chain	0.0073	0.1605	0.1562
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0306	0.0621
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0306	0.0907
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0306	0.0306
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0124	0.3382	0.8144
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0306	0.0621
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0306	0.0621
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0306	0.024
Schistosoma mansoni	hypothetical protein	0.0169	0.4999	0.4999
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Schistosoma mansoni	methionine-tRNA synthetase	0.0106	0.2764	0.2764
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0057	0.1028	0.1498
Trypanosoma brucei	aldo-keto reductase, putative	0.0109	0.2869	1
Treponema pallidum	methionyl-tRNA synthetase	0.0124	0.3382	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.08	0.0753
Trypanosoma cruzi	aldo/keto reductase, putative	0.0109	0.2869	1
Toxoplasma gondii	aldose reductase, putative	0.0109	0.2869	0.6599
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0306	0.0621
Chlamydia trachomatis	methionine--tRNA ligase	0.0106	0.2764	0.5
Loa Loa (eye worm)	oxidoreductase	0.0109	0.2869	0.2833
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Echinococcus multilocularis	geminin	0.0169	0.4999	0.4973
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0306	0.0621
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0109	0.2869	1
Onchocerca volvulus		0.0036	0.0306	0.0621
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0306	0.024
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0032	0.0137	0.0086
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0145	0.4122	0.4092
Brugia malayi	NADH-dependent xylose reductase	0.0032	0.0137	0.0199
Echinococcus granulosus	geminin	0.0169	0.4999	0.4973
Brugia malayi	methionyl-tRNA synthetase	0.0124	0.3382	0.4928
Mycobacterium leprae	Conserved hypothetical protein	0.0077	0.1755	0.5922
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0238	0.0346
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Schistosoma mansoni	hypothetical protein	0.0311	1	1
Onchocerca volvulus		0.0036	0.0306	0.0621
Giardia lamblia	Aldose reductase	0.0109	0.2869	0.5
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0073	0.1605	0.1562
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Onchocerca volvulus		0.0109	0.2869	1
Schistosoma mansoni	gabp alpha	0.0073	0.1605	0.1605
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Echinococcus granulosus	aldo keto reductase	0.0109	0.2869	0.2833
Schistosoma mansoni	pol-related	0.0109	0.2869	0.2869
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0145	0.4122	0.4122
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0079	0.1824	0.6292
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0306	0.024
Echinococcus granulosus	poly adp ribose polymerase 2	0.0079	0.1824	0.1782
Leishmania major	prostaglandin f synthase, putative	0.0109	0.2869	1
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0079	0.1824	0.1824
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0306	0.0621
Brugia malayi	beta-lactamase family protein	0.0036	0.0306	0.0447
Brugia malayi	WGR domain containing protein	0.0145	0.4122	0.6006
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0238	0.0188
Echinococcus multilocularis	aldo keto reductase	0.0109	0.2869	0.2833
Loa Loa (eye worm)	glutamate receptor	0.0057	0.1028	0.0982
Onchocerca volvulus		0.0109	0.2869	1
Echinococcus granulosus	hypothetical protein	0.0109	0.2869	0.2833
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Plasmodium vivax	aldehyde reductase, putative	0.0032	0.0137	0.3359
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0306	0.024
Leishmania major	aldo-keto reductase-like protein	0.0109	0.2869	1
Brugia malayi	Fli-1 protein	0.0222	0.6863	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0306	0.0257
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0045	0.0606	0.0559
Echinococcus granulosus	aldehyde reductase	0.0077	0.1755	0.1713
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0311	1	1
Schistosoma mansoni	importin beta-1	0.0029	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0257
Trichomonas vaginalis	aldo/keto reductase, putative	0.0109	0.2869	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.08	0.1166
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0306	0.0257
Entamoeba histolytica	aldose reductase, putative	0.0109	0.2869	0.6856
Echinococcus granulosus	WGR domain containing protein	0.0045	0.0606	0.0559
Echinococcus multilocularis	aldo keto reductase	0.0109	0.2869	0.2833
Loa Loa (eye worm)	hypothetical protein	0.0063	0.123	0.1186
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0306	0.0447
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0306	0.024
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Echinococcus multilocularis	GA binding protein alpha chain	0.0073	0.1605	0.1562
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0306	0.0257
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0306	0.024
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0306	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0106	0.2764	0.2727
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0079	0.1824	0.6176
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.015	0.4322	1
Echinococcus multilocularis	snurportin 1	0.0311	1	1
Loa Loa (eye worm)	oxidoreductase	0.0109	0.2869	0.2833
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0109	0.2869	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Onchocerca volvulus		0.0109	0.2869	1
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0057	0.1032	0.0986
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Brugia malayi	RNA, U transporter 1	0.0083	0.1947	0.2836
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0109	0.2869	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0109	0.2869	0.4181
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0079	0.1824	0.1782
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0106	0.2764	0.2727
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0306	0.024
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0306	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2869	0.2833
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Schistosoma mansoni	aldo-keto reductase	0.0109	0.2869	0.2869
Schistosoma mansoni	ets-related	0.0222	0.6863	0.6863
Echinococcus granulosus	voltage gated potassium channel subunit	0.0032	0.0137	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0257
Trichomonas vaginalis	esterase, putative	0.0036	0.0306	0.0621
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0306	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0257
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0306	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0257
Loa Loa (eye worm)	hypothetical protein	0.005	0.08	0.0753
Mycobacterium ulcerans	oxidoreductase	0.0109	0.2869	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0048	0.0702	0.0655
Brugia malayi	Ets-domain containing protein	0.0073	0.1605	0.2339
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0109	0.2869	0.4181
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Brugia malayi	beta-lactamase	0.0036	0.0306	0.0447
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0032	0.0137	0.0086
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0048	0.0702	0.0655
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0107	0.2787	0.275
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Schistosoma mansoni	metabotropic glutamate receptor	0.0048	0.0702	0.0702
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0109	0.2869	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.08	0.1166
Loa Loa (eye worm)	hypothetical protein	0.011	0.2904	0.2868
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0032	0.0137	0.0199
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0109	0.2869	0.4181
Echinococcus granulosus	aldo keto reductase	0.0109	0.2869	0.2833
Brugia malayi	Ets-domain containing protein	0.0073	0.1605	0.2339
Brugia malayi	Importin beta-1 subunit	0.0029	0.0051	0.0074
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Schistosoma mansoni	aldo-keto reductase	0.0109	0.2869	0.2869
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0257
Schistosoma mansoni	hypothetical protein	0.0169	0.4999	0.4999
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0306	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0306	0.0621
Loa Loa (eye worm)	hypothetical protein	0.007	0.1491	0.1448
Echinococcus granulosus	aldo keto reductase	0.0109	0.2869	0.2833
Leishmania major	hypothetical protein, conserved	0.0036	0.0306	0.0621
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0306	0.0621
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0306	0.0621
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0306	0.024
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0032	0.0137	0.0201
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0065	0.1303	0.1303
Trichomonas vaginalis	aldo-keto reductase, putative	0.0109	0.2869	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0306	0.0621
Echinococcus granulosus	metabotropic glutamate receptor 5	0.007	0.1491	0.1448
Brugia malayi	WGR domain containing protein	0.0079	0.1824	0.2658
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Schistosoma mansoni	hypothetical protein	0.0034	0.0238	0.0238
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0069	0.1446	0.1446
Echinococcus multilocularis	aldehyde reductase	0.0077	0.1755	0.1713
Onchocerca volvulus		0.0109	0.2869	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Onchocerca volvulus		0.0109	0.2869	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0109	0.2869	1
Loa Loa (eye worm)	oxidoreductase	0.0109	0.2869	0.2833
Trichomonas vaginalis	aldo/keto reductase, putative	0.0109	0.2869	1
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0145	0.4122	0.4092
Loa Loa (eye worm)	oxidoreductase	0.0109	0.2869	0.2833
Plasmodium falciparum	aldo-keto reductase, putative	0.0032	0.0137	1
Toxoplasma gondii	methionyl-tRNA synthetase	0.0034	0.0237	0.0436
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0109	0.2869	0.2833
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1824	0.1782
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0109	0.2869	0.2833
Loa Loa (eye worm)	oxidoreductase	0.0109	0.2869	0.2833

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 29 nM	Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay	ChEMBL.	12639554
IC50 (binding)	= 29 nM	Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay	ChEMBL.	12639554
MIC (functional)	= 0.5 ug ml-1	In vitro Antibacterial activity of compound against Enterococcus faecalis 7	ChEMBL.	12639554
MIC (functional)	= 0.5 ug ml-1	In vitro Antibacterial activity of compound against Enterococcus faecalis 7	ChEMBL.	12639554
MIC (functional)	= 2 ug ml-1	In vitro Antibacterial activity of compound against Staphylococcus aureus Oxford	ChEMBL.	12639554

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: CHEMBL158106

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 273319