Detailed information for compound 1589835

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.467 | Formula: C25H23N3O5
  • H donors: 1 H acceptors: 3 LogP: 4.09 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)Cc1ccc(cc1)Oc1ncnc2c1cc(OC)c(c2)OC
  • InChi: 1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29)
  • InChiKey: BFZLDRFGXXMKES-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References
Homo sapiens platelet-derived growth factor receptor, beta polypeptide Starlite/ChEMBL References
Homo sapiens fms-related tyrosine kinase 4 Starlite/ChEMBL References
Homo sapiens colony stimulating factor 1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus 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
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog 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
Onchocerca volvulus 0.0272 0.4872 1
Echinococcus multilocularis aldehyde reductase 0.0193 0.314 0.6444
Loa Loa (eye worm) hypothetical protein 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0282 0.03
Schistosoma mansoni potassium channel beta 0.0079 0.0623 0.1279
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Echinococcus multilocularis aldo keto reductase 0.0272 0.4872 1
Echinococcus granulosus aldehyde reductase 0.0193 0.314 0.314
Plasmodium vivax aldehyde reductase, putative 0.0079 0.0623 0.5
Entamoeba histolytica aldose reductase, putative 0.0272 0.4872 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.027 0.4837 0.9925
Trypanosoma cruzi aldo/keto reductase, putative 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase 0.0272 0.4872 0.4872
Leishmania major aldo-keto reductase-like protein 0.0272 0.4872 1
Leishmania major prostaglandin f synthase, putative 0.0272 0.4872 1
Onchocerca volvulus 0.0272 0.4872 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0079 0.0623 0.1021
Loa Loa (eye worm) oxidoreductase 0.0272 0.4872 1
Mycobacterium leprae Conserved hypothetical protein 0.0193 0.314 0.5922
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Echinococcus granulosus roundabout 2 0.0063 0.0282 0.0282
Onchocerca volvulus 0.0272 0.4872 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0057 0.014 0.014
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Toxoplasma gondii aldose reductase, putative 0.0272 0.4872 1
Onchocerca volvulus Tyrosine kinase homolog 0.022 0.3729 0.731
Echinococcus multilocularis roundabout 2 0.0063 0.0282 0.0579
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0079 0.0623 0.0623
Entamoeba histolytica aldose reductase, putative 0.0272 0.4872 1
Trypanosoma brucei prostaglandin f synthase 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Schistosoma mansoni pol-related 0.0272 0.4872 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0272 0.4872 1
Schistosoma mansoni aldo-keto reductase 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase 0.0272 0.4872 0.4872
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Onchocerca volvulus 0.0208 0.3471 0.6703
Plasmodium falciparum aldo-keto reductase, putative 0.0079 0.0623 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Echinococcus granulosus hypothetical protein 0.0272 0.4872 0.4872
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Loa Loa (eye worm) oxidoreductase 0.0272 0.4872 1
Mycobacterium ulcerans oxidoreductase 0.0272 0.4872 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0272 0.4872 1
Loa Loa (eye worm) oxidoreductase 0.0272 0.4872 1
Onchocerca volvulus 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0079 0.0623 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0272 0.4872 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0282 0.03
Trichomonas vaginalis aldo/keto reductase, putative 0.0272 0.4872 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0079 0.0623 0.1279
Onchocerca volvulus 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Plasmodium falciparum aldehyde reductase, putative 0.0079 0.0623 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase 0.0272 0.4872 1
Giardia lamblia Aldose reductase 0.0272 0.4872 0.5
Trypanosoma cruzi aldo-keto reductase 0.0272 0.4872 1
Giardia lamblia Aldose reductase 0.0272 0.4872 0.5
Schistosoma mansoni aldo-keto reductase 0.0272 0.4872 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0272 0.4872 1
Loa Loa (eye worm) oxidoreductase 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Entamoeba histolytica aldose reductase, putative 0.0272 0.4872 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0272 0.4872 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Onchocerca volvulus 0.0272 0.4872 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase 0.0272 0.4872 0.4872
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Loa Loa (eye worm) oxidoreductase 0.0272 0.4872 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0272 0.4872 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0079 0.0623 0.0623
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0272 0.4872 0.4872
Schistosoma mansoni cell adhesion molecule 0.0057 0.014 0.0287
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase 0.0272 0.4872 1
Trypanosoma brucei aldo-keto reductase, putative 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0272 0.4872 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0272 0.4872 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.027 0.4837 0.9916

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0009 uM Inhibition of PDGFRbeta phosphorylation by cell based assay ChEMBL. 22153662
IC50 (binding) = 0.007 uM Inhibition of FLT3 phosphorylation by cell based assay ChEMBL. 22153662
IC50 (binding) = 0.008 uM Inhibition of VEGFR3 phosphorylation by cell based assay ChEMBL. 22153662
IC50 (binding) = 0.3 uM Inhibition of CSF1R phosphorylation by cell based assay ChEMBL. 22153662
Inhibition (binding) Inhibition of PDGFRalpha phosphorylation by cell based assay ChEMBL. 22153662

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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