Detailed information for compound 759107

Basic information

Technical information
  • TDR Targets ID: 759107
  • Name: 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methoxy phenyl)pyrrolidine-2,5-dione
  • MW: 342.364 | Formula: C19H19FN2O3
  • H donors: 1 H acceptors: 2 LogP: 2.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C(=O)CC(C1=O)NCCc1ccc(cc1)F
  • InChi: 1S/C19H19FN2O3/c1-25-16-8-6-15(7-9-16)22-18(23)12-17(19(22)24)21-11-10-13-2-4-14(20)5-3-13/h2-9,17,21H,10-12H2,1H3
  • InChiKey: MVSDEKPTMJSIMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(4-fluorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone
  • 3-[2-(4-Fluoro-phenyl)-ethylamino]-1-(4-methoxy-phenyl)-pyrrolidine-2,5-dione
  • BAS 03673935
  • A2976/0125454

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.5537 0.5537
Mycobacterium ulcerans glutaminase 0.0266 1 1
Schistosoma mansoni pyruvate kinase 0.0034 0.0915 0.0656
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.366 0.366
Echinococcus granulosus GPCR family 2 0.0048 0.1481 0.2101
Schistosoma mansoni glutaminase 0.0266 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0915 0.5
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1481 0.1481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1387 0.1143
Schistosoma mansoni hypothetical protein 0.0048 0.1481 0.1239
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1387 0.0917
Entamoeba histolytica hypothetical protein 0.0106 0.3746 1
Echinococcus multilocularis pyruvate kinase 0.0034 0.0915 0.1113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1387 0.1143
Echinococcus granulosus pyruvate kinase 0.0034 0.0915 0.1113
Schistosoma mansoni hypothetical protein 0.0104 0.366 0.348
Schistosoma mansoni hypothetical protein 0.0048 0.1481 0.1239
Loa Loa (eye worm) glutaminase 2 0.0266 1 1
Echinococcus multilocularis GPCR, family 2 0.0048 0.1481 0.2101
Brugia malayi hypothetical protein 0.0106 0.3746 0.3746
Echinococcus multilocularis pyruvate kinase 0.0026 0.0638 0.0631
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.5537 0.5294
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1481 0.2101
Leishmania major pyruvate kinase 0.0034 0.0915 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1387 0.1938
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0915 0.5
Schistosoma mansoni pyruvate kinase 0.0034 0.0915 0.0656
Echinococcus granulosus geminin 0.0164 0.6009 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.366 0.3314
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0915 0.0418
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.5537 0.5294
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0106 0.3746 0.6052
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0106 0.3746 0.6052
Loa Loa (eye worm) glutaminase 0.0266 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0106 0.3746 0.3568
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1387 0.1938
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0915 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1387 0.1387
Echinococcus multilocularis geminin 0.0164 0.6009 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1481 0.1481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1387 0.1143
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.4144 0.3824
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0915 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1387 0.1938
Entamoeba histolytica hypothetical protein 0.0106 0.3746 1
Entamoeba histolytica hypothetical protein 0.0106 0.3746 1
Leishmania major pyruvate kinase 0.0034 0.0915 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1481 0.1016
Schistosoma mansoni hypothetical protein 0.0106 0.3746 0.3568
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0915 0.0418
Chlamydia trachomatis pyruvate kinase 0.0034 0.0915 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.6009 0.5895
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1481 0.2101
Loa Loa (eye worm) hypothetical protein 0.0034 0.0915 0.0418
Brugia malayi MH2 domain containing protein 0.0116 0.4144 0.4144
Echinococcus multilocularis pyruvate kinase 0.0034 0.0915 0.1113
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0915 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.6009 0.5895
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0915 0.0915
Trichomonas vaginalis glutaminase, putative 0.0266 1 1
Entamoeba histolytica hypothetical protein 0.0106 0.3746 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0915 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1481 0.2101
Plasmodium falciparum pyruvate kinase 0.0034 0.0915 1
Echinococcus granulosus pyruvate kinase 0.0034 0.0915 0.1113
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4144 0.3824
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1387 0.1938
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0915 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0915 0.5
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0915 1
Giardia lamblia Pyruvate kinase 0.0034 0.0915 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1481 0.2101
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.5537 0.5537
Loa Loa (eye worm) hypothetical protein 0.0048 0.1481 0.1016
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0915 0.0418
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0915 0.0915
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0915 1
Schistosoma mansoni hypothetical protein 0.0048 0.1481 0.1239
Schistosoma mansoni hypothetical protein 0.0048 0.1481 0.1239

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

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.