Detailed information for compound 1670179

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.556 | Formula: C26H31N5O3
  • H donors: 1 H acceptors: 3 LogP: 4.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc2c(n1CCCN1CCOCC1)cc1c(c2)ncnc1Nc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C26H31N5O3/c1-26(2,3)18-5-7-19(8-6-18)29-24-20-15-22-23(16-21(20)27-17-28-24)34-25(32)31(22)10-4-9-30-11-13-33-14-12-30/h5-8,15-17H,4,9-14H2,1-3H3,(H,27,28,29)
  • InChiKey: VBQRWKQKLUNGCA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Echinococcus granulosus tar DNA binding protein 0.0063 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.3175 0.3175
Schistosoma mansoni hypothetical protein 0.0033 0.3175 0.3175
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.6519 0.6519
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.6519 0.6519
Schistosoma mansoni tar DNA-binding protein 0.0063 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.6519 0.6519
Brugia malayi RNA recognition motif domain containing protein 0.0063 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0 0.5
Brugia malayi TAR-binding protein 0.0063 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.6519 0.6519
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3175 0.3175
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 79 uM Inhibition of EGFR ChEMBL. 22818848

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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