TDR Targets

Basic information

Technical information

TDR Targets ID: 1572734
Name: 2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
MW: 223.225 | Formula: C11H13NO4
H donors: 3 H acceptors: 4 LogP: -2.05 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1cccc(c1)C(C(=O)O)(N)C
InChi: 1S/C11H13NO4/c1-11(12,10(15)16)8-4-2-3-7(5-8)6-9(13)14/h2-5H,6,12H2,1H3,(H,13,14)(H,15,16)
InChiKey: FPWPDMVACFGSQX-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

2-amino-2-[3-(carboxymethyl)phenyl]propionic acid
NCGC00024829-02

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	regulator of G-protein signaling 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	expressed protein	Get druggable targets OG5_141764	All targets in OG5_141764
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	expressed protein	Get druggable targets OG5_141764	All targets in OG5_141764
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768

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
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0531	0.29	0.96
Echinococcus multilocularis	regulator of G protein signaling 7	0.0059	0.0136	0.0449
Leishmania major	hypothetical protein, conserved	0.0202	0.0973	1
Schistosoma mansoni	tar DNA-binding protein	0.0521	0.2844	0.4202
Schistosoma mansoni	hypothetical protein	0.1191	0.677	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0116	0.047	0.1557
Loa Loa (eye worm)	RNA binding protein	0.0521	0.2844	0.2844
Echinococcus granulosus	mothers against decapentaplegic 2	0.0052	0.0095	0.0313
Loa Loa (eye worm)	glutaminase	0.0268	0.1359	0.1359
Brugia malayi	Latrophilin receptor protein 2	0.0551	0.3021	0.3021
Echinococcus multilocularis	isocitrate dehydrogenase	0.0068	0.0188	0.0623
Plasmodium falciparum	ataxin-2 like protein, putative	0.0202	0.0973	1
Loa Loa (eye worm)	hypothetical protein	0.0551	0.3021	0.3021
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0068	0.0188	0.0623
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0116	0.047	0.1557
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0235	0.1165	0.3855
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0055	0.0182
Brugia malayi	MH2 domain containing protein	0.0116	0.047	0.047
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0055	0.0182
Loa Loa (eye worm)	TAR-binding protein	0.0521	0.2844	0.2844
Schistosoma mansoni	hypothetical protein	0.0551	0.3021	0.4463
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0136	0.0136
Echinococcus granulosus	expressed protein	0.0451	0.2431	0.8047
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0167	0.0167
Echinococcus granulosus	Smad4	0.0116	0.047	0.1557
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0055	0.0081
Toxoplasma gondii	isocitrate dehydrogenase	0.0068	0.0188	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0095	0.0095
Onchocerca volvulus		0.0297	0.1532	0.3795
Brugia malayi	TAR-binding protein	0.0521	0.2844	0.2844
Brugia malayi	regulator of G-protein signaling egl-10	0.0059	0.0136	0.0136
Schistosoma mansoni	smad1 5 8 and	0.0116	0.047	0.0695
Loa Loa (eye worm)	MH2 domain-containing protein	0.1703	0.9764	0.9764
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0055	0.0081
Schistosoma mansoni	smad	0.0116	0.047	0.0695
Trichomonas vaginalis	glutaminase, putative	0.0268	0.1359	0.5
Brugia malayi	MH1 domain containing protein	0.0064	0.0167	0.0167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0055	0.0081
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0551	0.3021	1
Schistosoma mansoni	Smad4	0.0052	0.0095	0.014
Brugia malayi	glutaminase DH11.1	0.0268	0.1359	0.1359
Schistosoma mansoni	z-protein (S1r protein)	0.0059	0.0136	0.02
Echinococcus multilocularis	tar DNA binding protein	0.0521	0.2844	0.9415
Echinococcus multilocularis	Smad4	0.0116	0.047	0.1557
Brugia malayi	MH1 domain containing protein	0.0116	0.047	0.047
Plasmodium vivax	ataxin-2 like protein, putative	0.0202	0.0973	1
Brugia malayi	mothers against decapentaplegic homolog 3	0.0052	0.0095	0.0095
Echinococcus granulosus	tm gpcr rhodopsin	0.0531	0.29	0.96
Brugia malayi	isocitrate dehydrogenase	0.0068	0.0188	0.0188
Echinococcus granulosus	smad	0.0116	0.047	0.1557
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0551	0.3021	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0068	0.0188	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0973	0.0973
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0068	0.0188	0.5
Entamoeba histolytica	hypothetical protein	0.0235	0.1165	0.5
Loa Loa (eye worm)	hypothetical protein	0.0725	0.4038	0.4038
Brugia malayi	RNA recognition motif domain containing protein	0.0521	0.2844	0.2844
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0068	0.0188	0.0278
Schistosoma mansoni	smad	0.0052	0.0095	0.014
Trypanosoma cruzi	PAB1-binding protein , putative	0.0202	0.0973	1
Entamoeba histolytica	hypothetical protein	0.0235	0.1165	0.5
Loa Loa (eye worm)	glutaminase 2	0.0268	0.1359	0.1359
Brugia malayi	hypothetical protein	0.0297	0.1532	0.1532
Trypanosoma cruzi	PAB1-binding protein , putative	0.0202	0.0973	1
Schistosoma mansoni	Smad4	0.0116	0.047	0.0695
Brugia malayi	Smad1	0.0116	0.047	0.047
Loa Loa (eye worm)	transcription factor SMAD2	0.1703	0.9764	0.9764
Brugia malayi	latrophilin 2 splice variant baaae	0.1191	0.677	0.677
Brugia malayi	hypothetical protein	0.013	0.0554	0.0554
Schistosoma mansoni	tar DNA-binding protein	0.0521	0.2844	0.4202
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0052	0.0095	0.0313
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0551	0.3021	1
Schistosoma mansoni	tar DNA-binding protein	0.0521	0.2844	0.4202
Schistosoma mansoni	smad1 5 8 and	0.0116	0.047	0.0695
Brugia malayi	Isocitrate dehydrogenase	0.0068	0.0188	0.0188
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0116	0.047	0.1557
Loa Loa (eye worm)	hypothetical protein	0.1743	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0235	0.1165	0.172
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0055	0.0055
Echinococcus multilocularis	smad	0.0116	0.047	0.1557
Schistosoma mansoni	hypothetical protein	0.0551	0.3021	0.4463
Loa Loa (eye worm)	MH2 domain-containing protein	0.0052	0.0095	0.0095
Echinococcus multilocularis	GPCR, family 2	0.0551	0.3021	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0068	0.0188	0.0188
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0055	0.0182
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0068	0.0188	0.0623
Entamoeba histolytica	hypothetical protein	0.0235	0.1165	0.5
Echinococcus multilocularis	expressed protein	0.0451	0.2431	0.8047
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0725	0.4038	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0068	0.0188	0.0623
Echinococcus granulosus	GPCR family 2	0.0551	0.3021	1
Echinococcus granulosus	tar DNA binding protein	0.0521	0.2844	0.9415
Echinococcus granulosus	mothers against decapentaplegic 5	0.0116	0.047	0.1557
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0521	0.2844	0.2844
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0551	0.3021	0.3021
Loa Loa (eye worm)	hypothetical protein	0.1191	0.677	0.677
Schistosoma mansoni	Smad4	0.0052	0.0095	0.014
Schistosoma mansoni	smad1 5 8 and	0.0116	0.047	0.0695
Plasmodium falciparum	ataxin-2 like protein, putative	0.0202	0.0973	1
Brugia malayi	MH2 domain containing protein	0.0052	0.0095	0.0095
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0055	0.0055
Schistosoma mansoni	hypothetical protein	0.0235	0.1165	0.172
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0068	0.0188	0.0623
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0551	0.3021	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0091	0.0321	0.1064
Echinococcus granulosus	regulator of G protein signaling 7	0.0059	0.0136	0.0449
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1743	1	1
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0052	0.0095	0.0234
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0055	0.0182
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0235	0.1165	0.3855
Schistosoma mansoni	regulator of G protein signaling	0.0059	0.0136	0.02
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1743	1	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0116	0.047	0.0695
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.047	0.047
Echinococcus granulosus	mothers against decapentaplegic 6	0.0052	0.0095	0.0313
Entamoeba histolytica	hypothetical protein	0.0235	0.1165	0.5
Brugia malayi	RNA binding protein	0.0521	0.2844	0.2844
Schistosoma mansoni	tar DNA-binding protein	0.0521	0.2844	0.4202
Schistosoma mansoni	hypothetical protein	0.0091	0.0321	0.0475
Brugia malayi	MH2 domain containing protein	0.1703	0.9764	0.9764
Brugia malayi	MH1 domain containing protein	0.0064	0.0167	0.0167
Schistosoma mansoni	glutaminase	0.0268	0.1359	0.2008
Brugia malayi	MH1 domain containing protein	0.0116	0.047	0.047
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0551	0.3021	0.3021
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0059	0.0136	0.0136
Echinococcus multilocularis	regulator of G protein signaling 7	0.0059	0.0136	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0297	0.1532	0.1532
Brugia malayi	hypothetical protein	0.0202	0.0973	0.0973
Loa Loa (eye worm)	nuclear factor I	0.0064	0.0167	0.0167
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0091	0.0321	0.1064
Schistosoma mansoni	tar DNA-binding protein	0.0521	0.2844	0.4202
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0052	0.0095	0.0313
Mycobacterium ulcerans	glutaminase	0.0268	0.1359	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0202	0.0973	1
Brugia malayi	N-terminal motif family protein	0.0725	0.4038	0.4038
Schistosoma mansoni	hypothetical protein	0.0551	0.3021	0.4463
Trypanosoma brucei	PAB1-binding protein , putative	0.0202	0.0973	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0052	0.0095	0.0095
Schistosoma mansoni	hypothetical protein	0.0551	0.3021	0.4463
Loa Loa (eye worm)	MH1 domain-containing protein	0.0116	0.047	0.047
Brugia malayi	hypothetical protein	0.0235	0.1165	0.1165
Toxoplasma gondii	isocitrate dehydrogenase	0.0068	0.0188	0.1932
Loa Loa (eye worm)	Smad1	0.0116	0.047	0.047
Brugia malayi	MH2 domain containing protein	0.0116	0.047	0.047
Echinococcus granulosus	regulator of G protein signaling 7	0.0059	0.0136	0.0449

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.3778 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	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: CHEMBL1899098

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1572734