TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 273.284 | Formula: C15H15NO4
H donors: 0 H acceptors: 2 LogP: 3.2 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1noc(c1)/C=C/c1cccc(c1)OC
InChi: 1S/C15H15NO4/c1-3-19-15(17)14-10-13(20-16-14)8-7-11-5-4-6-12(9-11)18-2/h4-10H,3H2,1-2H3/b8-7+
InChiKey: WLCBNEZCEKALMK-BQYQJAHWSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Toxoplasma gondii	pyruvate carboxylase	0.0031	0.001	0.0244
Schistosoma mansoni	glutamate receptor NMDA	0.2493	0.8078	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0025	0.0019
Echinococcus multilocularis	nmda type glutamate receptor	0.308	1	1
Brugia malayi	WGR domain containing protein	0.0079	0.0169	0.1812
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0147	0.0389	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0025	0.0076
Trypanosoma brucei	acetyl-CoA carboxylase	0.0081	0.0175	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0025	0.0672
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0433	0.1327	0.1318
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0078	0.0165	0.1771
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0076
Brugia malayi	Receptor family ligand binding region containing protein	0.0147	0.0389	0.4475
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0433	0.1327	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0076
Brugia malayi	Probable ClpP-like protease	0.0081	0.0174	0.188
Schistosoma mansoni	glutamate receptor NMDA	0.0286	0.0846	0.1036
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0081	0.0174	1
Schistosoma mansoni	tyrosine kinase	0.0147	0.0389	0.047
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0286	0.0846	0.0837
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0079	0.0169	0.4191
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Echinococcus multilocularis	glutamate receptor NMDA	0.206	0.6659	0.6656
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0079	0.0169	0.4191
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.0174	0.435
Echinococcus granulosus	nmda type glutamate receptor	0.2207	0.714	0.7137
Leishmania major	acetyl-CoA carboxylase, putative	0.0081	0.0175	0.4347
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0433	0.1327	0.1318
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.0083	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0076
Brugia malayi	Carboxyl transferase domain containing protein	0.0078	0.0165	0.1771
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0147	0.0389	0.4475
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0079	0.0169	0.964
Schistosoma mansoni	acetyl-CoA carboxylase	0.0081	0.0175	0.0204
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0025	0.0067
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0025	0.0067
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0147	0.0389	0.038
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0286	0.0846	0.0837
Brugia malayi	metabotropic glutamate receptor type 2	0.0147	0.0389	0.4475
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0045	0.0056	0.0046
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0033	0.0017	0.0007
Schistosoma mansoni	hypothetical protein	0.0286	0.0846	0.1036
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0025	0.0067
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0291	0.0862	1
Trypanosoma cruzi	acetyl-CoA carboxylase	0.005	0.0073	0.1673
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0147	0.0389	0.4475
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0145	0.0382	0.0373
Loa Loa (eye worm)	glutamate receptor 1	0.0286	0.0846	1
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0147	0.0389	0.4475
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0165
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	1
Loa Loa (eye worm)	glutamate receptor	0.0147	0.0389	0.4475
Trypanosoma cruzi	extracellular receptor, putative	0.0147	0.0389	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0081	0.0174	0.466
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0025	0.0015
Schistosoma mansoni	hypothetical protein	0.0034	0.0019	0.0011
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0025	0.0015
Schistosoma mansoni	protein kinase	0.0147	0.0389	0.047
Schistosoma mansoni	glutamate receptor AMPA	0.0286	0.0846	0.1036
Mycobacterium ulcerans	lipase LipD	0.0036	0.0025	0.0067
Loa Loa (eye worm)	glutamate receptor 2	0.0286	0.0846	1
Schistosoma mansoni	ATP-binding cassette transporter	0.0286	0.0846	0.1036
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0147	0.0389	0.038
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0286	0.0846	0.0837
Echinococcus multilocularis	glutamate receptor 2	0.0147	0.0389	0.038
Schistosoma mansoni	metabotropic glutamate receptor	0.0147	0.0389	0.047
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.007	0.0619
Echinococcus multilocularis	tyrosine kinase	0.0147	0.0389	0.038
Brugia malayi	Guanylyl cyclase protein 23	0.0147	0.0389	0.4475
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0081	0.0175	0.0165
Leishmania major	hypothetical protein, conserved	0.0036	0.0025	0.0405
Echinococcus granulosus	receptor type guanylyl cyclase	0.0147	0.0389	0.038
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0025	0.0067
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0025	0.0067
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.007	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0076
Brugia malayi	hypothetical protein	0.0147	0.0389	0.4475
Loa Loa (eye worm)	hypothetical protein	0.0049	0.007	0.0619
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0433	0.1327	0.1318
Brugia malayi	beta-lactamase family protein	0.0036	0.0025	0.0076
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0286	0.0846	0.0837
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0715
Schistosoma mansoni	peptidase Clp (S14 family)	0.0081	0.0174	0.0204
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0752
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0025	0.0067
Schistosoma mansoni	glutamate receptor kainate	0.0286	0.0846	0.1036
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.0374	0.1583
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0286	0.0846	0.0837
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0025	0.0067
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0025	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Leishmania major	extracellular receptor, putative	0.0147	0.0389	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Treponema pallidum	fructose-bisphosphate aldolase	0.0291	0.0862	0.3729
Echinococcus granulosus	glutamate receptor 2	0.0433	0.1327	0.1318
Onchocerca volvulus		0.0147	0.0389	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Schistosoma mansoni	glutamate receptor kainate	0.0286	0.0846	0.1036
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0025	0.0067
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.102	0.3249	0.3242
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0059	0.0101	0.5796
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.0654	0.2801
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0165
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0433	0.1327	0.1318
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0079	0.0169	0.0197
Echinococcus granulosus	tyrosine kinase	0.0147	0.0389	0.038
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0715
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0147	0.0389	0.038
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0025	0.0076
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0025	0.0076
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0733	0.2311	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0025	0.0672
Brugia malayi	Glutamate receptor 2 precursor	0.0286	0.0846	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.0083	0.0317
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.007	0.0619
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0081	0.0175	0.0165
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0733	0.2311	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0147	0.0389	0.047
Echinococcus multilocularis	nmda type glutamate receptor	0.2207	0.714	0.7137
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0025	0.0067
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0025	0.0405
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0286	0.0846	0.0837
Schistosoma mansoni	glutamate receptor AMPA	0.0286	0.0846	0.1036
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0147	0.0389	0.038
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0147	0.0389	0.4475
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0025	0.1441
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0286	0.0846	0.0837
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0081	0.0175	0.4357
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0433	0.1327	0.1318
Onchocerca volvulus		0.0147	0.0389	1
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0145	0.0382	0.0462
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.0374	0.1583
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0079	0.0169	0.0159
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0147	0.0389	0.038
Brugia malayi	beta-lactamase	0.0036	0.0025	0.0076
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0147	0.0389	0.4475
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0147	0.0389	0.4475
Echinococcus granulosus	glutamate receptor NMDA	0.206	0.6659	0.6656
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0025	0.0067
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0286	0.0846	0.0837
Brugia malayi	Receptor family ligand binding region containing protein	0.0147	0.0389	0.4475
Toxoplasma gondii	ABC1 family protein	0.0036	0.0025	0.0627
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0069	0.0134	0.0153
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0291	0.0862	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0076
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0025	0.0019
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0433	0.1327	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0733	0.2311	1
Schistosoma mansoni	tyrosine kinase	0.0147	0.0389	0.047
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0025	0.0076
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0025	0.0931
Echinococcus granulosus	WGR domain containing protein	0.0045	0.0056	0.0046
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	1
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0286	0.0846	0.0837
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0025	0.0067
Brugia malayi	beta-lactamase family protein	0.0036	0.0025	0.0076
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.0083	0.0317
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0081	0.0175	0.4357
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0147	0.0389	0.038
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0174	0.188
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.0174	0.435
Chlamydia trachomatis	glutamine binding protein	0.0733	0.2311	1
Brugia malayi	WGR domain containing protein	0.0145	0.0382	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0169	0.1812
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0025	0.0067
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0025	0.0067
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0145	0.0382	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0057	0.0095	0.0922
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0754
Echinococcus granulosus	glutamate receptor 2	0.0147	0.0389	0.038
Echinococcus multilocularis	glutamate receptor 2	0.0433	0.1327	0.1318
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.0083	0.0073
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0433	0.1327	0.1318
Brugia malayi	Glutamate receptor 1 precursor	0.0286	0.0846	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.0374	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.0083	0.2211
Schistosoma mansoni	glutamate receptor kainate	0.0286	0.0846	0.1036
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0291	0.0862	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0269	0.3025
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0174	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0733	0.2311	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0147	0.0389	0.038
Entamoeba histolytica	hypothetical protein	0.0147	0.0389	0.0141
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0031	0.001	0.0262
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.015	0.0401	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0147	0.0389	0.4475
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0025	0.0067
Echinococcus multilocularis	glutamate receptor 2	0.0286	0.0846	0.0837
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0147	0.0389	0.4475
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0389	0.4475
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0059	0.0101	0.5796
Echinococcus granulosus	poly adp ribose polymerase 2	0.0079	0.0169	0.0159
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0733	0.2311	1
Echinococcus multilocularis	NMDA receptor	0.0286	0.0846	0.0837
Giardia lamblia	Fructose-bisphosphate aldolase	0.0291	0.0862	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC90 (functional)	= 3.7 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv replicating form by alamar blue assay	ChEMBL.	19757815
MIC90 (functional)	= 8.8 uM	Antimycobacterial activity against non replicating persistent form of Mycobacterium tuberculosis H37Rv after 10 days by low oxygen recovery assay	ChEMBL.	19757815

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: CHEMBL570344

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1065290