Detailed information for compound 1549359

Basic information

Technical information
  • TDR Targets ID: 1549359
  • Name: 1-[[1-(benzoyl)-2,3-dihydroindol-5-yl]methyl] -3-(2-ethylphenyl)urea
  • MW: 399.485 | Formula: C25H25N3O2
  • H donors: 2 H acceptors: 2 LogP: 4.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
  • InChi: 1S/C25H25N3O2/c1-2-19-8-6-7-11-22(19)27-25(30)26-17-18-12-13-23-21(16-18)14-15-28(23)24(29)20-9-4-3-5-10-20/h3-13,16H,2,14-15,17H2,1H3,(H2,26,27,30)
  • InChiKey: SMEZRCATIIZJIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[1-(benzoyl)indolin-5-yl]methyl]-3-(2-ethylphenyl)urea
  • 3-(2-ethylphenyl)-1-[[1-(oxo-phenylmethyl)-5-indolinyl]methyl]urea
  • 3-(2-ethylphenyl)-1-[(1-phenylcarbonyl-2,3-dihydroindol-5-yl)methyl]urea
  • G714-0211
  • NCGC00133276-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 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) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromobox protein, putative 0.0123 0.0712 0.225
Trichomonas vaginalis chromobox protein, putative 0.0096 0.0462 0.1182
Trypanosoma cruzi Replication factor A protein 1 0.0153 0.0985 0.5
Trichomonas vaginalis chromobox protein, putative 0.0123 0.0712 0.225
Giardia lamblia Hypothetical protein 0.0047 0 0.5
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0285 0.2215 1
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.008 0.0311 0.1564
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0094 0.0436 0.1231
Schistosoma mansoni chromobox protein 0.0963 0.8501 1
Loa Loa (eye worm) helicase 0.0067 0.0186 0.0088
Loa Loa (eye worm) hypothetical protein 0.0228 0.1684 0.6435
Brugia malayi Associated with TFs and helicases family protein 0.0067 0.0186 0.0088
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.0088
Entamoeba histolytica replication factor A protein 1, putative 0.0137 0.084 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0319 0.2526 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.0088
Leishmania major replication factor A, 51kDa subunit, putative 0.0153 0.0985 0.5
Brugia malayi Heterochromatin protein 1 0.0123 0.0712 0.2319
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0319 0.2526 1
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0319 0.2526 0.2385
Brugia malayi M-phase phosphoprotein, mpp8 0.0067 0.0186 0.0088
Brugia malayi Valyl-tRNA synthetase 0.0067 0.0186 0.0088
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0153 0.0985 0.3418
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0319 0.2526 1
Schistosoma mansoni chromobox protein 0.0123 0.0712 0.0633
Echinococcus multilocularis chromobox protein 1 0.0123 0.0712 0.0537
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.0436 0.1068
Plasmodium vivax replication protein A1, large subunit, putative 0.0153 0.0985 1
Trichomonas vaginalis chromobox protein, putative 0.0096 0.0462 0.1182
Loa Loa (eye worm) CHromoDomain protein family member 0.0067 0.0186 0.0088
Brugia malayi chromobox protein homolog 3 0.0094 0.0436 0.1147
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0067 0.0186 0.0088
Brugia malayi replication factor A 73 kDa subunit 0.0319 0.2526 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0096 0.0462 0.1363
Trichomonas vaginalis conserved hypothetical protein 0.0094 0.0436 0.1068
Trypanosoma brucei Replication factor A protein 1 0.0153 0.0985 0.5
Brugia malayi hypothetical protein 0.0067 0.0186 0.0088
Brugia malayi SET domain containing protein 0.0067 0.0186 0.0088
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.0088
Loa Loa (eye worm) hypothetical protein 0.0094 0.0436 0.1147
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.0088
Brugia malayi MH2 domain containing protein 0.0144 0.0905 0.3137
Echinococcus multilocularis chromobox protein 2 0.1124 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0905 0.3137
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0905 0.3137
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.0088
Brugia malayi Protein cec-1. 0.0228 0.1684 0.6435
Echinococcus multilocularis chromobox protein 1 0.0123 0.0712 0.0537
Echinococcus granulosus chromobox protein 1 0.0123 0.0712 0.0537
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0303 0.238 0.9377
Loa Loa (eye worm) heterochromatin protein 1 0.0123 0.0712 0.2319
Loa Loa (eye worm) hypothetical protein 0.0067 0.0186 0.0088
Plasmodium falciparum replication protein A1, large subunit 0.0153 0.0985 1
Schistosoma mansoni replication factor A 1 rfa1 0.0319 0.2526 0.2814
Schistosoma mansoni chromobox protein 0.0123 0.0712 0.0633
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0153 0.0985 1
Echinococcus granulosus chromobox protein 1 0.0123 0.0712 0.0537
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0319 0.2526 0.2385
Brugia malayi CHD4 protein 0.0067 0.0186 0.0088

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.