Detailed information for compound 318990

Basic information

Technical information
  • TDR Targets ID: 318990
  • Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3 -dihydroisoindol-4-yl)phenyl]urea
  • MW: 383.442 | Formula: C24H21N3O2
  • H donors: 3 H acceptors: 2 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)CCC2)Nc1ccc(cc1)c1cccc2c1CNC2=O
  • InChi: 1S/C24H21N3O2/c28-23-21-6-2-5-20(22(21)14-25-23)16-8-10-18(11-9-16)26-24(29)27-19-12-7-15-3-1-4-17(15)13-19/h2,5-13H,1,3-4,14H2,(H,25,28)(H2,26,27,29)
  • InChiKey: OSFWZQSZUPUCDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-indan-5-yl-3-[4-(1-oxoisoindolin-4-yl)phenyl]urea
  • 1-(5-indanyl)-3-[4-(1-oxo-4-isoindolinyl)phenyl]urea
  • 1-indan-5-yl-3-[4-(1-ketoisoindolin-4-yl)phenyl]urea
  • isoindolinone analog 4n

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
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
Echinococcus granulosus neuroglian 0.0014 0.0121 0.0054
Onchocerca volvulus 0.0178 0.3163 0.0303
Schistosoma mansoni nephrin 0.0014 0.0121 0.0121
Mycobacterium ulcerans adenosine deaminase 0.0547 1 0.5
Schistosoma mansoni cell adhesion molecule 0.0015 0.0136 0.0136
Entamoeba histolytica adenosine deaminase, putative 0.0547 1 1
Leishmania major adenine aminohydrolase 0.0547 1 1
Onchocerca volvulus AMP deaminase 2 homolog 0.0178 0.3163 0.0303
Echinococcus granulosus twitchin 0.0014 0.0121 0.0054
Loa Loa (eye worm) AMP deaminase 0.0178 0.3163 0.3116
Loa Loa (eye worm) hypothetical protein 0.0369 0.6697 0.6674
Loa Loa (eye worm) hypothetical protein 0.0547 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0547 1 0.5
Echinococcus multilocularis neuroglian 0.0014 0.0121 0.0054
Brugia malayi adenosine monophosphate deaminase 0.0178 0.3163 0.3116
Trypanosoma brucei AMP deaminase, putative 0.0178 0.3163 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0136 0.0068
Schistosoma mansoni AMP deaminase 0.0178 0.3163 0.3163
Onchocerca volvulus Adenosine deaminase homolog 0.0547 1 1
Trypanosoma brucei AMP deaminase, putative 0.0178 0.3163 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0547 1 1
Trypanosoma brucei AMP deaminase, putative 0.0178 0.3163 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0178 0.3163 0.5
Echinococcus multilocularis AMP deaminase 2 0.0178 0.3163 0.3116
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0178 0.3163 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.3022 0.0102
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0547 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0122
Echinococcus multilocularis adenosine deaminase 0.0547 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.3163 0.3116
Echinococcus multilocularis roundabout 2 0.0018 0.0189 0.0122
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0068 0.0068
Trypanosoma cruzi AMP deaminase, putative 0.0178 0.3163 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0547 1 0.5
Echinococcus granulosus roundabout 2 0.0018 0.0189 0.0122
Trypanosoma cruzi AMP deaminase 2, putative 0.0178 0.3163 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.3245 0.3198
Trypanosoma cruzi AMP deaminase, putative 0.0178 0.3163 0.5
Plasmodium vivax adenosine deaminase, putative 0.0547 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.6697 0.6674
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0547 1 1
Treponema pallidum adenosine deaminase 0.0547 1 0.5
Plasmodium falciparum adenosine deaminase 0.0547 1 1
Echinococcus granulosus adenosine deaminase 0.0547 1 1
Schistosoma mansoni adenosine deaminase-related 0.0547 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0178 0.3163 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0068 0.0068
Trichomonas vaginalis adenosine deaminase, putative 0.0547 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0178 0.3163 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0178 0.3163 0.5
Schistosoma mansoni adenosine deaminase 0.0547 1 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.6697 0.6674
Loa Loa (eye worm) hypothetical protein 0.0015 0.0136 0.0068
Loa Loa (eye worm) hypothetical protein 0.0018 0.0189 0.0122
Trypanosoma cruzi AMP deaminase, putative 0.0178 0.3163 0.5
Schistosoma mansoni vesicular amine transporter 0.0011 0.0068 0.0068
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.3245 0.3198
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0547 1 0.5
Echinococcus granulosus AMP deaminase 2 0.0178 0.3163 0.3116
Loa Loa (eye worm) hypothetical protein 0.0369 0.6697 0.6674

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 39 nM Inhibition of Vascular endothelial growth factor receptor 2 (KDR) ChEMBL. 15357981
IC50 (binding) = 39 nM Inhibition of Vascular endothelial growth factor receptor 2 (KDR) ChEMBL. 15357981

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

1 literature reference was collected for this gene.

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