Detailed information for compound 1579671

Basic information

Technical information
  • TDR Targets ID: 1579671
  • Name: 2-(2-methyl-1H-indol-3-yl)-N-[1-(4-methylphen yl)-5-oxopyrrolidin-3-yl]-2-oxoacetamide
  • MW: 375.42 | Formula: C22H21N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1CC(CC1=O)NC(=O)C(=O)c1c(C)[nH]c2c1cccc2
  • InChi: 1S/C22H21N3O3/c1-13-7-9-16(10-8-13)25-12-15(11-19(25)26)24-22(28)21(27)20-14(2)23-18-6-4-3-5-17(18)20/h3-10,15,23H,11-12H2,1-2H3,(H,24,28)
  • InChiKey: UVLKXYXYPDJJLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-methyl-1H-indol-3-yl)-N-[1-(4-methylphenyl)-5-oxo-pyrrolidin-3-yl]-2-oxo-acetamide
  • 2-(2-methyl-1H-indol-3-yl)-N-[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-2-oxoacetamide
  • 2-keto-N-[5-keto-1-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
  • 2-(2-methyl-1H-indol-3-yl)-N-[1-(4-methylphenyl)-5-oxo-pyrrolidin-3-yl]-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
Plasmodium vivax proteasome subunit beta type-5, putative 0.0231 1 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0126 0.4702 0.4367
Echinococcus granulosus proteasome prosome macropain 0.0231 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0231 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0231 1 0.5
Brugia malayi proteasome subunit beta type 1 0.0126 0.4702 0.4702
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0231 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.0645 0.0645
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0126 0.4702 0.4702
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.0645 0.0645
Mycobacterium ulcerans proteasome PrcB 0.0231 1 0.5
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0231 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0231 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0231 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0231 1 1
Brugia malayi Cytochrome P450 family protein 0.0045 0.0595 0.0595
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0231 1 0.5
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0231 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0231 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0231 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0645 0.0053
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0126 0.4702 0.4702
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0126 0.4702 0.4702
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0126 0.4702 0.4702
Echinococcus multilocularis proteasome (prosome, macropain) 0.0231 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0231 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0231 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.0645 0.0053

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2582, AID2599] ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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