TDR Targets

Basic information

Technical information

TDR Targets ID: 156002
Name: 4-(1-amino-2-hydroxy-2-oxoethyl)-2-hydroxy-5- methylbenzoic acid
MW: 225.198 | Formula: C10H11NO5
H donors: 4 H acceptors: 5 LogP: -1.62 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C(=O)O)c(cc1C(C(=O)O)N)O
InChi: 1S/C10H11NO5/c1-4-2-6(9(13)14)7(12)3-5(4)8(11)10(15)16/h2-3,8,12H,11H2,1H3,(H,13,14)(H,15,16)
InChiKey: WZDQGWVWGJQFNL-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

4-(1-amino-2-hydroxy-2-oxo-ethyl)-2-hydroxy-5-methyl-benzoic acid
4-(1-azanyl-2-hydroxy-2-oxo-ethyl)-2-hydroxy-5-methyl-benzoic acid
4-(1-amino-2-hydroxy-2-keto-ethyl)-2-hydroxy-5-methyl-benzoic acid

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
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0013	0.0026	0.0192
Echinococcus granulosus	polycomb protein SCMH1	0.0032	0.0439	0.0762
Mycobacterium tuberculosis	Conserved protein	0.0073	0.1346	0.1346
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1346	1
Plasmodium falciparum	acyl-CoA synthetase	0.0012	0	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0064	0.1139	0.8456
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0066	0.1178	0.4671
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.1346	0.1346
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0064	0.1139	0.2051
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.1346	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0126	0.2493	1
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.0664	0.1611
Brugia malayi	RNA binding protein	0.0042	0.0664	0.4831
Mycobacterium ulcerans	beta-lactamase	0.0073	0.1346	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.1346	0.5353
Loa Loa (eye worm)	TAR-binding protein	0.0042	0.0664	0.493
Brugia malayi	TAR-binding protein	0.0042	0.0664	0.4831
Brugia malayi	beta-lactamase family protein	0.0073	0.1346	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.1346	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0088	0.0652
Brugia malayi	AMP-binding enzyme family protein	0.0016	0.0088	0.0469
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.1346	0.1346
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0012	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Toxoplasma gondii	ABC1 family protein	0.0073	0.1346	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.1346	0.1346
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.1346	0.1346
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0088	0.0652
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0036	0.0536	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0036	0.0536	0.1287
Onchocerca volvulus		0.0073	0.1346	1
Brugia malayi	mbt repeat family protein	0.0032	0.0439	0.3129
Entamoeba histolytica	acyl-coA synthetase, putative	0.0016	0.0088	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.0664	0.1611
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0064	0.1139	0.2051
Schistosoma mansoni	sex comb on midleg homolog	0.0032	0.0439	0.1043
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.1346	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0066	0.1178	0.8725
Echinococcus granulosus	SAM and MBT domain containing protein	0.0032	0.0439	0.0762
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0064	0.1139	0.4511
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0471	0.3494
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0088	0.0088
Mycobacterium tuberculosis	Conserved protein	0.0073	0.1346	0.1346
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0013	0.0026	0.0192
Brugia malayi	latrophilin 2 splice variant baaae	0.0023	0.024	0.1619
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0016	0.0088	0.0652
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.1346	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.1346	0.1346
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0033	0.0471	0.3494
Mycobacterium ulcerans	lipase LipD	0.0073	0.1346	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0013	0.0026	0.0192
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0036	0.0536	0.3861
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.1346	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0042	0.0664	0.493
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0088	0.0652
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.1346	1
Mycobacterium tuberculosis	Conserved protein	0.0073	0.1346	0.1346
Brugia malayi	beta-lactamase	0.0073	0.1346	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.1346	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0016	0.0088	0.0652
Echinococcus granulosus	histone acetyltransferase MYST2	0.0036	0.0536	0.094
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.1346	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0064	0.1139	0.281
Schistosoma mansoni	sex comb on midleg homolog	0.0032	0.0439	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0439	0.326
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1346	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0013	0.0026	0.0192
Echinococcus multilocularis	tar DNA binding protein	0.0042	0.0664	0.2586
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1178	0.8749
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.0664	0.1611
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.1346	0.2434
Brugia malayi	AMP-binding enzyme family protein	0.0016	0.0088	0.0469
Leishmania major	hypothetical protein, conserved	0.0073	0.1346	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Onchocerca volvulus		0.0073	0.1346	1
Loa Loa (eye worm)	mbt repeat family protein	0.0032	0.0439	0.326
Brugia malayi	AMP-binding enzyme family protein	0.0016	0.0088	0.0469
Schistosoma mansoni	hypothetical protein	0.0053	0.0893	0.2189
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0064	0.1139	0.4511
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.1346	0.1346
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0016	0.0088	0.5
Mycobacterium ulcerans	hypothetical protein	0.0073	0.1346	1
Loa Loa (eye worm)	RNA binding protein	0.0042	0.0664	0.493
Loa Loa (eye worm)	beta-lactamase	0.0073	0.1346	1
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.0664	0.1611
Echinococcus multilocularis	FTZ F1 alpha	0.0066	0.1178	0.4671
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1346	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0013	0.0026	0.0192
Echinococcus granulosus	tar DNA binding protein	0.0042	0.0664	0.1176
Loa Loa (eye worm)	hypothetical protein	0.0023	0.024	0.1779
Schistosoma mansoni	tar DNA-binding protein	0.0042	0.0664	0.1611
Mycobacterium ulcerans	acyl-CoA synthetase	0.0016	0.0088	0.0652
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.1346	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0064	0.1139	0.281
Loa Loa (eye worm)	steroid hormone receptor	0.0013	0.0026	0.0192
Brugia malayi	RNA recognition motif domain containing protein	0.0042	0.0664	0.4831
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0032	0.0439	0.1675
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.1346	1
Trichomonas vaginalis	esterase, putative	0.0073	0.1346	0.5
Mycobacterium ulcerans	hypothetical protein	0.0016	0.0088	0.0652
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.1346	1
Brugia malayi	beta-lactamase family protein	0.0073	0.1346	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0536	0.3978
Mycobacterium ulcerans	acyl-CoA synthetase	0.0016	0.0088	0.0652
Onchocerca volvulus		0.0073	0.1346	1
Onchocerca volvulus		0.0016	0.0088	0.0469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.1346	0.3335
Mycobacterium leprae	Probable lipase LipE	0.0073	0.1346	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.1346	0.1346
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0036	0.0536	0.094
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0064	0.1139	0.8426
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0036	0.0536	0.2067
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0016	0.0088	0.0652
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0066	0.1178	0.8725
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0013	0.0026	0.0192
Mycobacterium ulcerans	acyl-CoA synthetase	0.0016	0.0088	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1346	1
Schistosoma mansoni	hypothetical protein	0.0023	0.024	0.054
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0016	0.0088	0.0088
Brugia malayi	mbt repeat family protein	0.0032	0.0439	0.3129
Echinococcus granulosus	FTZ F1 alpha	0.0261	0.5452	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0013	0.0026	0.0192
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0016	0.0088	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0033	0.0471	0.3367
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0016	0.0088	0.0652
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0126	0.2493	0.4547
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0066	0.1178	0.2124
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0064	0.1139	0.281
Schistosoma mansoni	hypothetical protein	0.0194	0.3986	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0032	0.0439	0.3129
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0033	0.0471	0.3367
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.1346	0.5
Loa Loa (eye worm)	MBCTL1	0.0036	0.0536	0.3978
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Echinococcus multilocularis	polycomb protein SCMH1	0.0032	0.0439	0.1675
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1346	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0032	0.0439	0.1043
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0066	0.1178	0.291
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.1346	0.3335
Onchocerca volvulus		0.0032	0.0439	0.3129
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.1346	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1346	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.1346	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 73 uM	Compound was tested for functional response of human metabotropic glutamate receptor mGluR1-alpha expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis	ChEMBL.	No reference
IC50 (functional)	= 73 uM	Compound was tested for functional response of human metabotropic glutamate receptor mGluR1-alpha expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis	ChEMBL.	No reference
IC50 (functional)	> 300 uM	Compound was tested for functional response of human metabotropic glutamate receptor mGluR5a expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis	ChEMBL.	No reference
IC50 (functional)	> 300 uM	Compound was tested for functional response of human metabotropic glutamate receptor mGluR5a expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis	ChEMBL.	No reference

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: CHEMBL329905
PubChem: 10036599

Bibliographic References

No literature references available for this target.

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Detailed information for compound 156002