Detailed information for compound 1374150

Basic information

Technical information
  • TDR Targets ID: 1374150
  • Name: [2-[(2-fluorophenyl)amino]-2-oxoethyl] 1-(4-m ethylphenyl)-5-oxopyrrolidine-3-carboxylate
  • MW: 370.374 | Formula: C20H19FN2O4
  • H donors: 1 H acceptors: 3 LogP: 2.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C
  • InChi: 1S/C20H19FN2O4/c1-13-6-8-15(9-7-13)23-11-14(10-19(23)25)20(26)27-12-18(24)22-17-5-3-2-4-16(17)21/h2-9,14H,10-12H2,1H3,(H,22,24)
  • InChiKey: OQRDYDPQNQANDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2-fluorophenyl)amino]-2-oxo-ethyl] 1-(4-methylphenyl)-5-oxo-pyrrolidine-3-carboxylate
  • 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[(2-fluorophenyl)amino]-2-oxoethyl] ester
  • 5-keto-1-(4-methylphenyl)pyrrolidine-3-carboxylic acid [2-[(2-fluorophenyl)amino]-2-keto-ethyl] ester
  • T5271147
  • MLS000516898
  • SMR000343076

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major C-8 sterol isomerase-like protein 0.0404 0.1036 0.0839
Brugia malayi 6-phosphofructokinase 0.0112 0.0215 0.0152
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.3596 1 1
Trichomonas vaginalis conserved hypothetical protein 0.3596 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.0215 0.4525
Loa Loa (eye worm) hypothetical protein 0.0404 0.1036 0.1036
Echinococcus granulosus geminin 0.0205 0.0476 0.6283
Mycobacterium ulcerans 6-phosphofructokinase 0.0112 0.0215 0.5
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0114 0.0222 0.0159
Echinococcus multilocularis geminin 0.0205 0.0476 0.6283
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.3596 1 0.5
Plasmodium vivax macrophage migration inhibitory factor, putative 0.3596 1 0.5
Brugia malayi hypothetical protein 0.0286 0.0703 0.0642
Trypanosoma brucei C-8 sterol isomerase, putative 0.0404 0.1036 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0222 0.0222
Schistosoma mansoni integrin alpha 0.0151 0.0326 0.6847
Plasmodium falciparum macrophage migration inhibitory factor 0.3596 1 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0404 0.1036 0.0978
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1534 0.4209 0.4209
Echinococcus granulosus 6 phosphofructokinase 0.0112 0.0215 0.2026
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.0215 0.0215
Schistosoma mansoni integrin alpha-ps 0.0068 0.0091 0.1919
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0112 0.0215 0.5
Loa Loa (eye worm) phosphofructokinase 0.0112 0.0215 0.0215
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.3596 1 1
Brugia malayi phosphofructokinase 0.0112 0.0215 0.0152
Brugia malayi Integrin alpha pat-2 precursor 0.0151 0.0326 0.0263
Schistosoma mansoni survival motor neuron protein 0.0058 0.0064 0.1355
Loa Loa (eye worm) integrin alpha pat-2 0.0233 0.0556 0.0556
Leishmania major macrophage migration inhibitory factor-like protein 0.3596 1 1
Brugia malayi hypothetical protein 0.0125 0.0253 0.019
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0404 0.1036 1
Echinococcus multilocularis integrin alpha 3 0.0116 0.0226 0.221
Loa Loa (eye worm) macrophage migration inhibitory factor 0.3596 1 1
Loa Loa (eye worm) hypothetical protein 0.0327 0.0818 0.0818
Echinococcus granulosus integrin alpha 3 0.0116 0.0226 0.221
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0207 0.0481 0.0481
Loa Loa (eye worm) hypothetical protein 0.0286 0.0703 0.0703
Brugia malayi 6-phosphofructokinase 0.0112 0.0215 0.0152
Loa Loa (eye worm) hypothetical protein 0.0083 0.0135 0.0135
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.0215 0.4525
Giardia lamblia Macrophage migration inhibitory factor 0.3596 1 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0064 0.1355
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0703 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.1534 0.4209 0.4209
Leishmania major macrophage migration inhibitory factor-like protein 0.3596 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.0476 1
Onchocerca volvulus 0.0058 0.0064 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0703 1
Echinococcus multilocularis 6 phosphofructokinase 0.0112 0.0215 0.2026
Loa Loa (eye worm) hypothetical protein 0.0119 0.0234 0.0234
Schistosoma mansoni hypothetical protein 0.0205 0.0476 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0112 0.0215 0.5
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0112 0.0215 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0065 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Bibliographic References

No literature references available for this target.

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