Detailed information for compound 146854

Basic information

Technical information
  • TDR Targets ID: 146854
  • Name: (3Z)-6-phenyl-3-(4,5,6,7-tetrahydro-1H-indol- 2-ylmethylidene)-1H-indol-2-one
  • MW: 340.418 | Formula: C23H20N2O
  • H donors: 2 H acceptors: 1 LogP: 4.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(/C/1=C/c1cc3c([nH]1)CCCC3)ccc(c2)c1ccccc1
  • InChi: 1S/C23H20N2O/c26-23-20(14-18-12-17-8-4-5-9-21(17)24-18)19-11-10-16(13-22(19)25-23)15-6-2-1-3-7-15/h1-3,6-7,10-14,24H,4-5,8-9H2,(H,25,26)/b20-14-
  • InChiKey: BCEALSZPAPLOJG-ZHZULCJRSA-N  

Network

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Synonyms

  • (3Z)-6-phenyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylene)indolin-2-one
  • (3Z)-6-phenyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylene)-2-indolinone
  • (3Z)-6-phenyl-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylene)oxindole
  • Indolin-2-one deriv. 4f

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
Leishmania major cytochrome p450-like protein 0.0093 0 0.5
Giardia lamblia Ceramide glucosyltransferase 0.2472 0.4439 0.5
Echinococcus granulosus ceramide glucosyltransferase 0.5452 1 0.5
Schistosoma mansoni ceramide glucosyltransferase 0.5452 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0093 0 0.5
Schistosoma mansoni ceramide glucosyltransferase 0.5452 1 0.5
Echinococcus multilocularis ceramide glucosyltransferase 0.5452 1 0.5
Loa Loa (eye worm) ceramide glucosyltransferase 0.5452 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0093 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0093 0 0.5
Trypanosoma brucei cytochrome P450, putative 0.0093 0 0.5
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.5452 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 12.5 uM Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (functional) > 12.5 uM Evaluated for the inhibition of cell proliferation induced by FGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (functional) > 12.5 uM Evaluated for the inhibition of cell proliferation induced by VEGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (functional) > 12.5 uM Evaluated for the inhibition of cell proliferation induced by FGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (binding) > 20 uM Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial growth factor receptor 2 ChEMBL. 10893303
IC50 (binding) > 20 uM Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 ChEMBL. 10893303
IC50 (binding) > 20 uM Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase ChEMBL. 10893303
IC50 (binding) > 20 uM Evaluated for inhibitory activity towards tyrosine kinase Vascular endothelial growth factor receptor 2 ChEMBL. 10893303
IC50 (binding) > 20 uM Evaluated for inhibitory activity towards Fibroblast growth factor receptor 1 ChEMBL. 10893303
IC50 (binding) > 20 uM Evaluated for inhibitory activity towards p60 c-Src tyrosine kinase ChEMBL. 10893303
IC50 (functional) > 50 uM Evaluated for the inhibition of cell proliferation induced by PDGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (functional) > 50 uM Evaluated for the inhibition of cell proliferation induced by EGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (functional) > 50 uM Evaluated for the inhibition of cell proliferation induced by PDGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (functional) > 50 uM Evaluated for the inhibition of cell proliferation induced by EGF in HUVEC or NIH3T3 cells ChEMBL. 10893303
IC50 (binding) = 70.6 uM Evaluated for inhibitory activity towards tyrosine kinase PDGF-Rbeta ChEMBL. 10893303
IC50 (binding) = 70.6 uM Evaluated for inhibitory activity towards tyrosine kinase PDGF-Rbeta ChEMBL. 10893303
IC50 (binding) > 100 uM Evaluated for inhibitory activity towards tyrosine kinase Epidermal growth factor receptor ChEMBL. 10893303
IC50 (binding) > 100 uM Evaluated for inhibitory activity towards tyrosine kinase Epidermal growth factor receptor ChEMBL. 10893303

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10893303

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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