Detailed information for compound 1339345

Basic information

Technical information
  • TDR Targets ID: 1339345
  • Name: 4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylpheny l)pyrrolidin-2-one
  • MW: 305.374 | Formula: C19H19N3O
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)N1CC(CC1=O)c1nc2c([nH]1)cccc2
  • InChi: 1S/C19H19N3O/c1-12-7-8-17(13(2)9-12)22-11-14(10-18(22)23)19-20-15-5-3-4-6-16(15)21-19/h3-9,14H,10-11H2,1-2H3,(H,20,21)
  • InChiKey: CFPJVGNMBPOINZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)-2-pyrrolidinone
  • 4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)-2-pyrrolidone
  • SMR000017205
  • ST5145348
  • IFLab1_003066
  • IDI1_009525
  • MLS000102591

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0864 0.122 0.5
Schistosoma mansoni CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase 0.0864 0.122 0.122
Wolbachia endosymbiont of Brugia malayi cardiolipin synthase 0.0864 0.122 0.5
Giardia lamblia hypothetical protein 0.0234 0 0.5
Trypanosoma brucei phosphatidylglycerolphosphate synthase, mitochondrial 0.0864 0.122 0.3822
Leishmania major phosphatidylglycerophosphate synthase, putative 0.1018 0.1518 1
Echinococcus granulosus phospholipase D 0.4765 0.878 0.878
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0864 0.122 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0826 0.1146 1
Toxoplasma gondii phospholipase D active site domain-containing protein 0.1881 0.3192 1
Trypanosoma brucei cardiolipin synthetase, putative 0.1881 0.3192 1
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Brugia malayi hypothetical protein 0.0864 0.122 0.122
Echinococcus granulosus phospholipase D1 0.5394 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Echinococcus multilocularis phospholipase d3 0.1018 0.1518 0.1518
Brugia malayi Protein K4 0.0864 0.122 0.122
Entamoeba histolytica phospholipase D, putative 0.5394 1 1
Giardia lamblia Hypothetical protein 0.0234 0 0.5
Leishmania major cardiolipin synthetase, putative 0.0864 0.122 0.8035
Loa Loa (eye worm) hypothetical protein 0.4531 0.8326 1
Loa Loa (eye worm) hypothetical protein 0.3513 0.6354 0.7632
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Echinococcus multilocularis phospholipase D1 0.5394 1 1
Echinococcus multilocularis phospholipase D 0.4765 0.878 0.878
Echinococcus granulosus phospholipase d3 0.1018 0.1518 0.1518
Giardia lamblia Hypothetical protein 0.0234 0 0.5
Giardia lamblia Liver stage antigen-like protein 0.0234 0 0.5
Entamoeba histolytica phospholipase D, putative 0.5394 1 1
Plasmodium falciparum mitochondrial cardiolipin synthase, putative 0.0864 0.122 1
Trypanosoma cruzi cardiolipin synthetase, putative 0.1881 0.3192 1
Schistosoma mansoni phospholipase D 0.5394 1 1
Entamoeba histolytica phospholipase D active site domain-containing protein 0.4531 0.8326 0.8326
Plasmodium vivax cardiolipin synthetase, putative 0.0864 0.122 1
Plasmodium vivax phosphatidylglycerophosphate synthase, putative 0.0864 0.122 1
Chlamydia trachomatis phospholipase D superfamily protein 0.0864 0.122 0.5
Loa Loa (eye worm) hypothetical protein 0.1018 0.1518 0.1823
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0864 0.122 0.5
Plasmodium falciparum phosphatidylglycerophosphate synthase 0.0864 0.122 1
Chlamydia trachomatis phospholipase D endonuclease family protein 0.0864 0.122 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Chlamydia trachomatis phospholipase D superfamily protein 0.0864 0.122 0.5
Entamoeba histolytica hypothetical protein 0.0333 0.0191 0.0191
Trypanosoma cruzi cardiolipin synthetase, putative 0.1881 0.3192 1
Loa Loa (eye worm) hypothetical protein 0.4531 0.8326 1
Trypanosoma brucei cardiolipin synthetase 0.1881 0.3192 1
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Giardia lamblia Hypothetical protein 0.0234 0 0.5
Onchocerca volvulus Putative phospholipase D 0.1018 0.1518 1
Loa Loa (eye worm) phospholipase D 0.1018 0.1518 0.1823
Trichomonas vaginalis conserved hypothetical protein 0.0234 0 0.5
Giardia lamblia Hypothetical protein 0.0234 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0826 0.1146 0.5
Loa Loa (eye worm) hypothetical protein 0.0864 0.122 0.1465
Loa Loa (eye worm) hypothetical protein 0.3513 0.6354 0.7632
Brugia malayi Phospholipase D. Active site motif family protein 0.1018 0.1518 0.1518
Brugia malayi Phospholipase D. Active site motif family protein 0.1881 0.3192 0.3192

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 2.2387 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.2753 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

Species name Source Reference Is orphan
Plasmodium falciparum 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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