TDR Targets

Basic information

Technical information

TDR Targets ID: 583857
Name: 4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl ]-4-oxo-butanoic acid
MW: 253.251 | Formula: C12H15NO5
H donors: 3 H acceptors: 5 LogP: -0.02 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCC(=O)c1c(CCC(=O)O)c[nH]c1C
InChi: 1S/C12H15NO5/c1-7-12(9(14)3-5-11(17)18)8(6-13-7)2-4-10(15)16/h6,13H,2-5H2,1H3,(H,15,16)(H,17,18)
InChiKey: NRCLTECUGCYICQ-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-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid
4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-keto-butyric acid
succinylacetone pyrrole
80037-86-1
1H-Pyrrole-3-butanoic acid, 4-(2-carboxyethyl)-2-methyl-gamma-oxo-
SA-Pyrrole

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
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.2139	0.1704
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.2139	0.372
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Schistosoma mansoni	hypothetical protein	0.0033	0.5326	0.5275
Loa Loa (eye worm)	hypothetical protein	0.0015	0.2139	0.1681
Schistosoma mansoni	cpg binding protein	0.003	0.4678	0.4619
Schistosoma mansoni	hypothetical protein	0.0015	0.2139	0.2052
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	1
Schistosoma mansoni	hypothetical protein	0.0015	0.2139	0.2052
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.8073	1
Schistosoma mansoni	cpg binding protein	0.0028	0.4393	0.4331
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.8073	1
Schistosoma mansoni	cpg binding protein	0.003	0.4678	0.4619
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.5326	0.616
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.5326	0.615
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Schistosoma mansoni	hypothetical protein	0.0015	0.2139	0.2052
Onchocerca volvulus		0.0028	0.4393	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Echinococcus multilocularis	GPCR, family 2	0.0015	0.2139	0.372
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0939	0.0754
Echinococcus multilocularis	cpg binding protein	0.003	0.4678	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0634	0.0531
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.8073	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.2139	0.372
Trichomonas vaginalis	helicase, putative	0.0006	0.0525	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0939	0.0754
Echinococcus granulosus	GPCR family 2	0.0015	0.2139	0.372
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.2139	0.372
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.2139	0.1704
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0525	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.2139	0.372
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Schistosoma mansoni	hypothetical protein	0.0015	0.2139	0.2052
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.4393	0.4842
Brugia malayi	CXXC zinc finger family protein	0.0028	0.4393	0.4856
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0525	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.8867	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.2139	0.1681
Echinococcus granulosus	cpg binding protein	0.003	0.4678	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.8073	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0525	1

Activities

No activities found for this compound.

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

Search by CAS
PubChem: 133339

Bibliographic References

No literature references available for this target.

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Detailed information for compound 583857