Detailed information for compound 842158

Basic information

Technical information
  • TDR Targets ID: 842158
  • Name: 2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl ]-N-(4-fluorophenyl)-2-oxoacetamide
  • MW: 350.386 | Formula: C21H19FN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)C(=O)c1cc(n(c1C)c1cccc(c1)C)C
  • InChi: 1S/C21H19FN2O2/c1-13-5-4-6-18(11-13)24-14(2)12-19(15(24)3)20(25)21(26)23-17-9-7-16(22)8-10-17/h4-12H,1-3H3,(H,23,26)
  • InChiKey: NQVGPEQQOAPVJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-N-(4-fluorophenyl)-2-oxo-acetamide
  • 2-[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]-N-(4-fluorophenyl)-2-oxoacetamide
  • 2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-N-(4-fluorophenyl)-2-keto-acetamide
  • 2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-N-(4-fluorophenyl)-2-oxo-ethanamide

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 GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0113 0.0527
Schistosoma mansoni hypothetical protein 0.0154 0.0704 0.3474
Plasmodium vivax SET domain protein, putative 0.0034 0.0007 0.5
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0042 0.005 0.0211
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0042 0.005 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0007 0.0036
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0169 0.079 0.5
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0169 0.079 0.3925
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0169 0.079 0.0764
Brugia malayi PAS domain containing protein 0.0104 0.0412 0.2017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0113 0.0527
Onchocerca volvulus 0.0272 0.1385 1
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0169 0.079 0.0764
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0091 0.0335 0.2376
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.038 0.2012 1
Echinococcus granulosus single minded 2 0.0077 0.0255 0.1267
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0154 0.0704 0.3497
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0169 0.079 0.5
Onchocerca volvulus 0.0042 0.005 0.0307
Loa Loa (eye worm) hypothetical protein 0.0349 0.1832 0.9099
Loa Loa (eye worm) protein-tyrosine phosphatase 0.038 0.2012 1
Onchocerca volvulus 0.0077 0.0255 0.1798
Brugia malayi NADH dehydrogenase subunit 1 0.0042 0.005 0.0211
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1759 1 1
Treponema pallidum nitrogen fixation protein (rnfC) 0.0038 0.0027 0.5
Brugia malayi bHLH-PAS transcription factor 0.0077 0.0255 0.1235
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0042 0.005 0.0211
Trichomonas vaginalis set domain proteins, putative 0.0272 0.1385 1
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0169 0.079 0.3903
Schistosoma mansoni aryl hydrocarbon receptor 0.0104 0.0412 0.2017
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0169 0.079 0.3903
Mycobacterium ulcerans putative regulatory protein 0.0077 0.0255 0.0228
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0113 0.0562
Echinococcus multilocularis transfer RNA-Lys 0.0077 0.0255 0.1235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0113 0.0527
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.038 0.2012 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0113 0.0527
Loa Loa (eye worm) hypoxia-induced factor 1 0.0322 0.1675 0.8318
Brugia malayi Protein-tyrosine phosphatase containing protein 0.038 0.2012 1
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0042 0.005 0.0022
Schistosoma mansoni single-minded 0.0104 0.0412 0.2017
Brugia malayi hypothetical protein 0.0042 0.005 0.0211
Mycobacterium ulcerans proteasome PrcA 0.1759 1 1
Onchocerca volvulus 0.0042 0.005 0.0307
Brugia malayi Pre-SET motif family protein 0.0239 0.1193 0.5916
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.038 0.2012 1
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0169 0.079 0.3903
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0169 0.079 0.5
Brugia malayi hypoxia-induced factor 1 0.0322 0.1675 0.8318
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0169 0.079 0.3903
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0113 0.0527
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0169 0.079 1
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0042 0.005 0.0211
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0113 0.0527
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0169 0.079 0.5
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0154 0.0704 0.0678
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0007 0.5
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0169 0.079 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0239 0.1193 0.5916
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0113 0.0527
Brugia malayi hypothetical protein 0.0349 0.1832 0.9099
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0113 0.0562
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0154 0.0704 0.0678

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.

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