Detailed information for compound 824619

Basic information

Technical information
  • TDR Targets ID: 824619
  • Name: 2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)me thyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylace tamide
  • MW: 459.494 | Formula: C26H25N3O5
  • H donors: 1 H acceptors: 3 LogP: 3.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CN1C(=O)N(C(=O)C1CC(=O)Nc1ccccc1)c1ccc(cc1)OC
  • InChi: 1S/C26H25N3O5/c1-33-21-12-8-18(9-13-21)17-28-23(16-24(30)27-19-6-4-3-5-7-19)25(31)29(26(28)32)20-10-14-22(34-2)15-11-20/h3-15,23H,16-17H2,1-2H3,(H,27,30)
  • InChiKey: NHKMDROPUVQBTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-imidazolidin-4-yl]-N-phenyl-acetamide
  • 2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-imidazolidinyl]-N-phenylacetamide
  • 2-[2,5-diketo-3-(4-methoxybenzyl)-1-(4-methoxyphenyl)imidazolidin-4-yl]-N-phenyl-acetamide
  • 2-[1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-imidazolidin-4-yl]-N-phenyl-ethanamide
  • 2-[3-(4-methoxybenzyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
  • MLS000766832
  • SMR000339728
  • STK164453

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.5627 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0403 1 0.5
Schistosoma mansoni peroxidasin 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Schistosoma mansoni peroxidasin 0.0243 0.5627 1
Schistosoma mansoni DNA topoisomerase II 0.0094 0.1562 0.2777
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0094 0.1562 0.2777
Onchocerca volvulus 0.0243 0.5627 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0094 0.1562 0.5
Brugia malayi hypothetical protein 0.0243 0.5627 1
Giardia lamblia DNA topoisomerase II 0.0082 0.1217 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0094 0.1562 0.2919
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0094 0.1562 0.2777
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Leishmania major mitochondrial DNA topoisomerase II 0.0233 0.5353 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0094 0.1562 0.5
Brugia malayi Animal haem peroxidase family protein 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Onchocerca volvulus Peroxidasin homolog 0.0243 0.5627 1
Plasmodium falciparum DNA gyrase subunit B 0.0403 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0128 0.2487 0.442
Brugia malayi Animal haem peroxidase family protein 0.0243 0.5627 1
Echinococcus multilocularis serotonin receptor 0.0128 0.2487 0.442
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0233 0.5353 1
Brugia malayi Animal haem peroxidase family protein 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.2487 0.442
Mycobacterium ulcerans DNA gyrase subunit B 0.0403 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Echinococcus multilocularis serotonin receptor 0.0128 0.2487 0.442
Trypanosoma brucei DNA topoisomerase ii 0.0233 0.5353 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0775 0.1378
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0403 1 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0233 0.5353 1
Onchocerca volvulus Peroxidase homolog 0.0243 0.5627 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0128 0.2487 0.442
Onchocerca volvulus 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Onchocerca volvulus Dual oxidase homolog 0.0243 0.5627 1
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.5627 1
Onchocerca volvulus Peroxidase homolog 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Loa Loa (eye worm) TOPoisomerase family member 0.0094 0.1562 0.2777
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0233 0.5353 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0094 0.1562 0.2777
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0094 0.1562 0.2777
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0139 0.278 0.5
Echinococcus granulosus peroxidasin 0.0243 0.5627 1
Echinococcus multilocularis peroxidasin 0.0243 0.5627 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0243 0.5627 1
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.5627 1
Brugia malayi Animal haem peroxidase family protein 0.0243 0.5627 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0403 1 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Brugia malayi Peroxidasin 0.0243 0.5627 1
Onchocerca volvulus Peroxidasin homolog 0.0243 0.5627 1
Onchocerca volvulus Chorion peroxidase homolog 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.2487 0.442
Brugia malayi Probable DNA topoisomerase II 0.0094 0.1562 0.2777
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0094 0.1562 0.2777
Brugia malayi Animal haem peroxidase family protein 0.0243 0.5627 1
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.5627 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0403 1 0.5
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0094 0.1562 0.2777
Loa Loa (eye worm) hypothetical protein 0.0065 0.0775 0.1378
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0094 0.1562 0.2777
Brugia malayi Blistered cuticle protein 3 0.0243 0.5627 1
Onchocerca volvulus 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.5627 1

Activities

Activity type Activity value Assay description Source Reference
AbsAC1 (functional) = 6.06 uM PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.6964 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) 11.6891 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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