Detailed information for compound 1456443

Basic information

Technical information
  • TDR Targets ID: 1456443
  • Name: 3-methyl-N-[2,4,6-trioxo-1-phenyl-5-(trifluor omethyl)-7H-pyrrolo[4,5-e]pyrimidin-5-yl]buta namide
  • MW: 410.347 | Formula: C18H17F3N4O4
  • H donors: 3 H acceptors: 4 LogP: 1.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)NC1(C(=O)Nc2c1c(=O)[nH]c(=O)n2c1ccccc1)C(F)(F)F)C
  • InChi: 1S/C18H17F3N4O4/c1-9(2)8-11(26)24-17(18(19,20)21)12-13(22-15(17)28)25(16(29)23-14(12)27)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,22,28)(H,24,26)(H,23,27,29)
  • InChiKey: ZRDLHEAGMCBPRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-N-[2,4,6-triketo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[4,5-e]pyrimidin-5-yl]butyramide
  • NCGC00101968-01

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
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
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0065 0.0092 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0432 0.529 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.006 0.0021 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-49 0.006 0.0021 0.0021
Brugia malayi ecdysteroid receptor 0.006 0.0021 0.0021
Echinococcus multilocularis proliferating cell nuclear antigen 0.0065 0.0092 0.0135
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0372 0.4444 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.0021 0.004
Brugia malayi proliferating cell nuclear antigen (PCNA) 0.0065 0.0092 0.0092
Entamoeba histolytica proliferating cell nuclear antigen, putative 0.0065 0.0092 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.0021 0.0021
Brugia malayi nuclear hormone receptor 0.006 0.0021 0.0021
Toxoplasma gondii proliferating cell nuclear antigen PCNA1 0.0065 0.0092 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0733 0.9553 0.995
Onchocerca volvulus Bile acid receptor homolog 0.006 0.0021 1
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0065 0.0092 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.006 0.0021 0.004
Schistosoma mansoni thyroid hormone receptor 0.0432 0.529 1
Brugia malayi Steroid receptor seven-up type 2 0.006 0.0021 0.0021
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.006 0.0021 1
Brugia malayi Nuclear hormone receptor-like 1 0.0736 0.9601 0.9601
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3219 0.7229
Schistosoma mansoni proliferating cell nuclear antigen 0.0065 0.0092 0.0175
Brugia malayi Nuclear hormone receptor family member nhr-31 0.006 0.0021 0.0021
Schistosoma mansoni coup transcription factor 0.006 0.0021 0.004
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.006 0.0021 0.004
Loa Loa (eye worm) proliferating cell nuclear antigen 0.0065 0.0092 0.0074
Brugia malayi hypothetical protein 0.0286 0.3219 0.3219
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.0021 0.0021
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.006 0.0021 0.004
Brugia malayi Nuclear hormone receptor family member nhr-41 0.006 0.0021 0.0021
Brugia malayi steroid hormone receptor 0.006 0.0021 0.0021
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0065 0.0092 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.006 0.0021 0.004
Onchocerca volvulus Protein ultraspiracle homolog 0.006 0.0021 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.006 0.0021 0.0021
Schistosoma mansoni thyroid hormone receptor 0.0432 0.529 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.006 0.0021 0.0021
Brugia malayi Nuclear hormone receptor-like 1 0.0736 0.9601 0.9601
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.006 0.0021 0.004
Loa Loa (eye worm) hypothetical protein 0.0286 0.3219 0.3338
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.0021 0.0021
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.006 0.0021 0.004
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0065 0.0092 0.5
Echinococcus granulosus proliferating cell nuclear antigen 0.0065 0.0092 0.0161
Trypanosoma brucei proliferative cell nuclear antigen (PCNA), putative 0.0065 0.0092 0.5
Schistosoma mansoni nuclear hormone receptor 0.006 0.0021 0.004
Plasmodium vivax proliferating cell nuclear antigen, putative 0.0065 0.0092 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.006 0.0021 0.004
Schistosoma mansoni hypothetical protein 0.0372 0.4444 0.8401
Onchocerca volvulus 0.006 0.0021 1
Brugia malayi photoreceptor-specific nuclear receptor 0.006 0.0021 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.0021 0.0021
Giardia lamblia PcnA 0.0065 0.0092 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3219 0.6069
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0736 0.9601 1
Plasmodium falciparum proliferating cell nuclear antigen 1 0.0065 0.0092 0.5
Leishmania major proliferative cell nuclear antigen (PCNA), putative 0.0065 0.0092 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.0021 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-3 0.006 0.0021 0.0021
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0372 0.4444 0.8394
Schistosoma mansoni Tr4/Tr2 (homologue) 0.006 0.0021 0.004
Brugia malayi nuclear receptor NHR-88 0.006 0.0021 0.0021
Schistosoma mansoni proliferating cell nuclear antigen 0.0065 0.0092 0.0175

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

Bibliographic References

No literature references available for this target.

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