Detailed information for compound 1070985

Basic information

Technical information
  • TDR Targets ID: 1070985
  • Name: 1-(2-methylpropyl)-3-[2-oxo-2-(1H-pyrrol-2-yl )ethyl]imidazolidine-2,4,5-trione
  • MW: 277.276 | Formula: C13H15N3O4
  • H donors: 1 H acceptors: 4 LogP: 1.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN1C(=O)C(=O)N(C1=O)CC(=O)c1[nH]ccc1)C
  • InChi: 1S/C13H15N3O4/c1-8(2)6-15-11(18)12(19)16(13(15)20)7-10(17)9-4-3-5-14-9/h3-5,8,14H,6-7H2,1-2H3
  • InChiKey: CAJSPIGGHMSQAW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-isobutyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4,5-trione
  • 1-isobutyl-3-[2-keto-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4,5-trione
  • ZINC06553365
  • T5431456

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0402 0.0599
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0678 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.234 0.234
Trichomonas vaginalis esterase, putative 0.0041 0.0678 1
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.6708 0.6708
Schistosoma mansoni hypothetical protein 0.0041 0.0692 0.0692
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0678 1
Mycobacterium ulcerans lipase LipD 0.0041 0.0678 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0678 0.0678
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0678 0.004
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.6708 0.6708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0402 0.0599
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0402 0.0599
Mycobacterium leprae Probable lipase LipE 0.0041 0.0678 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0402 0.0402
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0402 0.0402
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0402 0.0402
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0678 0.004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0678 0.0678
Loa Loa (eye worm) hypothetical protein 0.0041 0.0692 0.1032
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0402 0.0599
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0678 0.101
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0402 0.0599
Loa Loa (eye worm) hypothetical protein 0.0041 0.0678 0.101
Brugia malayi ecdysteroid receptor 0.0032 0.0402 0.0599
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.065 0.065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.234 0.234
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0402 0.0599
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0678 0.004
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1288 0.1921
Schistosoma mansoni ap endonuclease 0.004 0.065 0.065
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0402 0.0599
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0678 0.004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1288 0.1921
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.065 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0402 0.0402
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0402 0.0402
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0402 0.0402
Onchocerca volvulus 0.0048 0.0894 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.234 0.234
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0678 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0678 0.004
Brugia malayi MH2 domain containing protein 0.0118 0.3092 0.4609
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0402 0.0402
Onchocerca volvulus 0.0041 0.0678 0.5609
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0692 0.1032
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1288 0.1921
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.234 0.234
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0894 0.1332
Brugia malayi hypothetical protein 0.0233 0.6708 1
Schistosoma mansoni hypothetical protein 0.0048 0.0894 0.0894
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0402 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0402 0.0599
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0402 0.0599
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0402 0.0599
Loa Loa (eye worm) hypothetical protein 0.0041 0.0678 0.101
Onchocerca volvulus 0.0041 0.0678 0.5609
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.234 0.3488
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0678 0.5
Brugia malayi nuclear hormone receptor 0.0032 0.0402 0.0599
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.234 0.234
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0678 0.0678
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Brugia malayi beta-lactamase family protein 0.0041 0.0678 0.101
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0402 0.0402
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0402 0.0402
Schistosoma mansoni survival motor neuron protein 0.0048 0.0894 0.0894
Loa Loa (eye worm) hypothetical protein 0.0041 0.0678 0.101
Leishmania major hypothetical protein, conserved 0.0041 0.0678 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3092 0.4609
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0402 0.0599
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.7543 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0402 0.0599
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0402 0.0402
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.065 0.065
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0678 0.101
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0402 0.0402
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0402 0.0402
Onchocerca volvulus 0.0041 0.0678 0.5609
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0678 0.004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0402 0.0599
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0402 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0402 0.0599
Loa Loa (eye worm) beta-lactamase 0.0041 0.0678 0.101
Loa Loa (eye worm) hypothetical protein 0.0233 0.6708 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.234 0.234
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0678 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0678 0.0678
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0678 1
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0402 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0402 0.0599
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0402 0.0599
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0402 0.0599
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0402 0.0599
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0402 0.0402
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.065 0.5
Mycobacterium ulcerans hypothetical protein 0.0041 0.0678 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3092 0.4609
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0402 0.0599
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.065 0.0969
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0402 0.0599
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0678 1
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.065 0.0969
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0402 0.0402
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.065 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0402 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0402 0.0599
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1288 0.1921
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0402 0.0402
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0402 0.0402
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0678 0.004
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0402 0.0402
Mycobacterium tuberculosis Conserved protein 0.0041 0.0678 0.004
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0402 0.0599
Brugia malayi steroid hormone receptor 0.0032 0.0402 0.0599
Loa Loa (eye worm) hypothetical protein 0.0041 0.0678 0.101
Schistosoma mansoni coup transcription factor 0.0032 0.0402 0.0402
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0402 0.0599
Toxoplasma gondii ABC1 family protein 0.0041 0.0678 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0402 0.0402
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0678 0.004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.234 0.234
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0041 0.0678 0.101
Mycobacterium ulcerans beta-lactamase 0.0041 0.0678 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0678 0.101
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0402 0.0402
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0402 0.0402
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0402 0.0402
Schistosoma mansoni ap endonuclease 0.004 0.065 0.065
Loa Loa (eye worm) hypothetical protein 0.0032 0.0402 0.0599
Brugia malayi beta-lactamase family protein 0.0041 0.0678 0.101
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0678 1
Brugia malayi beta-lactamase 0.0041 0.0678 0.101
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0402 0.0599
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0402 0.0402
Mycobacterium tuberculosis Conserved protein 0.0041 0.0678 0.004
Brugia malayi nuclear receptor NHR-88 0.0032 0.0402 0.0599
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0402 0.0402
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.065 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.234 0.3488
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0678 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.065 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0329 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) 0.1122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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
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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