Detailed information for compound 346830

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.371 | Formula: C19H19N3O6
  • H donors: 1 H acceptors: 4 LogP: 1.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1cc2ncnc(c2cc1OC)N=C1C=C(O)C=C(C1=O)OC
  • InChi: 1S/C19H19N3O6/c1-25-4-5-28-16-9-13-12(8-15(16)26-2)19(21-10-20-13)22-14-6-11(23)7-17(27-3)18(14)24/h6-10,23H,4-5H2,1-3H3/b22-14-
  • InChiKey: YHYRZDKKEFQOSK-HMAPJEAMSA-N  

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
Trypanosoma cruzi histone deacetylase, putative 0.0193 0.0354 0.3111
Echinococcus granulosus histone deacetylase 8 0.0193 0.0354 0.3177
Brugia malayi Histone deacetylase 1 0.048 0.1006 0.9406
Echinococcus granulosus histone deacetylase 6 0.0508 0.1069 0.9604
Schistosoma mansoni histone deacetylase hda2 0.0193 0.0354 0.3177
Schistosoma mansoni histone deacetylase 0.048 0.1006 0.9034
Trypanosoma cruzi histone deacetylase, putative 0.0508 0.1069 1
Echinococcus granulosus histone deacetylase 0.0508 0.1069 0.9604
Loa Loa (eye worm) histone deacetylase 7A 0.0508 0.1069 1
Brugia malayi Histone deacetylase family protein 0.0508 0.1069 1
Echinococcus granulosus histone deacetylase 7 0.0508 0.1069 0.9604
Schistosoma mansoni histone deacetylase hda2 0.0528 0.1113 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0193 0.0354 0.3177
Echinococcus multilocularis histone deacetylase 1 0.048 0.1006 0.9034
Trypanosoma cruzi histone deacetylase, putative 0.0508 0.1069 1
Trichomonas vaginalis histone deacetylase, putative 0.048 0.1006 1
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0056 0.0045 0.042
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0042 0.0012 0.0111
Loa Loa (eye worm) hypothetical protein 0.0193 0.0354 0.3308
Loa Loa (eye worm) histone deacetylase 11 0.0193 0.0354 0.3308
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.005 0.0031 0.0275
Leishmania major histone deacetylase, putative 0.0508 0.1069 1
Leishmania major histone deacetylase, putative 0.0508 0.1069 1
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.005 0.0031 0.0286
Entamoeba histolytica histone deacetylase, putative 0.048 0.1006 1
Echinococcus granulosus histone deacetylase 3 0.048 0.1006 0.9034
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.005 0.0031 0.0286
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0092 0.0126 0.0921
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.4398 0.9887 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.0056 0.0045 0.0138
Plasmodium falciparum histone deacetylase 1 0.048 0.1006 0.9389
Echinococcus multilocularis histone deacetylase 3 0.048 0.1006 0.9034
Schistosoma mansoni histone deacetylase 0.048 0.1006 0.9034
Toxoplasma gondii histone deacetylase HDAC1 0.0508 0.1069 1
Plasmodium vivax histone deacetylase 2, putative 0.0508 0.1069 1
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0056 0.0045 0.0147
Schistosoma mansoni histone deacetylase 4 5 0.0508 0.1069 0.9604
Echinococcus granulosus histone deacetylase 1 0.048 0.1006 0.9034
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4448 1 1
Brugia malayi histone deacetylase 11 0.0193 0.0354 0.3308
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.005 0.0031 0.0275
Schistosoma mansoni histone deacetylase 4 5 0.0508 0.1069 0.9604
Loa Loa (eye worm) histone deacetylase 1 0.048 0.1006 0.9406
Onchocerca volvulus 0.0042 0.0012 0.035
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0056 0.0045 0.0138
Echinococcus granulosus histone deacetylase 6 0.0508 0.1069 0.9604
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.048 0.1006 1
Toxoplasma gondii histone deacetylase HDAC5 0.0193 0.0354 0.3111
Trichomonas vaginalis histone deacetylase, putative 0.048 0.1006 1
Trichomonas vaginalis histone deacetylase, putative 0.048 0.1006 1
Trypanosoma cruzi histone deacetylase 1, putative 0.048 0.1006 0.9389
Brugia malayi Histone deacetylase family protein 0.0508 0.1069 1
Echinococcus granulosus UDP glucose 4 epimerase 0.0056 0.0045 0.0404
Schistosoma mansoni UDP-glucose 4-epimerase 0.0056 0.0045 0.0404
Plasmodium vivax histone deacetylase 1, putative 0.048 0.1006 0.9389
Giardia lamblia UDP-glucose 4-epimerase 0.0054 0.004 0.0101
Trypanosoma brucei histone deacetylase, putative 0.0508 0.1069 1
Echinococcus multilocularis histone deacetylase 0.0508 0.1069 0.9604
Trichomonas vaginalis histone deacetylase, putative 0.048 0.1006 1
Trypanosoma brucei histone deacetylase 4 0.0508 0.1069 1
Leishmania major histone deacetylase, putative 0.048 0.1006 0.9389
Echinococcus multilocularis histone deacetylase 7 0.0508 0.1069 0.9604
Echinococcus multilocularis histone deacetylase 6 0.0508 0.1069 0.9604
Trypanosoma brucei histone deacetylase 2 0.0193 0.0354 0.3111
Plasmodium falciparum histone deacetylase 2 0.0508 0.1069 1
Echinococcus multilocularis histone deacetylase 8 0.0193 0.0354 0.3177
Echinococcus granulosus histone deacetylase 6 0.0528 0.1113 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0056 0.0045 0.0138
Toxoplasma gondii histone deacetylase HDAC2 0.048 0.1006 0.9389
Trypanosoma brucei UDP-galactose 4-epimerase 0.0054 0.004 0.0094
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0056 0.0045 0.0147
Plasmodium falciparum histone deacetylase, putative 0.0508 0.1069 1
Trichomonas vaginalis histone deacetylase, putative 0.048 0.1006 1
Trypanosoma cruzi histone deacetylase 1, putative 0.048 0.1006 0.9389
Plasmodium vivax histone deacetylase, putative 0.0508 0.1069 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0056 0.0045 0.0147
Echinococcus multilocularis histone deacetylase 6 0.0508 0.1069 0.9604
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.048 0.1006 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0012 0.0116
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.005 0.0031 0.0275
Loa Loa (eye worm) hypothetical protein 0.0316 0.0633 0.5917
Trichomonas vaginalis histone deacetylase, putative 0.048 0.1006 1
Leishmania major udp-glc 4-epimerase, putative 0.0054 0.004 0.0094
Trypanosoma brucei histone deacetylase 1 0.048 0.1006 0.9389
Brugia malayi histone deacetylase 3 (HD3) 0.048 0.1006 0.9406
Loa Loa (eye worm) histone deacetylase 0.0508 0.1069 1
Giardia lamblia Histone deacetylase 0.048 0.1006 1
Echinococcus granulosus disco interacting protein 2 0.0042 0.0012 0.0111
Loa Loa (eye worm) hypothetical protein 0.0335 0.0677 0.633
Brugia malayi histone deacetylase 1 (HD1) 0.048 0.1006 0.9406
Trypanosoma cruzi histone deacetylase, putative 0.0508 0.1069 1
Toxoplasma gondii hypothetical protein 0.0092 0.0126 0.0921
Plasmodium vivax histone deacetylase, putative 0.0193 0.0354 0.3111
Toxoplasma gondii histone deacetylase HDAC3 0.048 0.1006 0.9389
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0056 0.0045 0.0147
Onchocerca volvulus Histone deacetylase 10 homolog 0.0193 0.0354 1
Trypanosoma brucei histone deacetylase 3 0.0508 0.1069 1
Echinococcus multilocularis disco interacting protein 2 0.0042 0.0012 0.0111
Trypanosoma cruzi histone deacetylase, putative 0.0193 0.0354 0.3111
Echinococcus multilocularis histone deacetylase 6 0.0528 0.1113 1
Loa Loa (eye worm) hypothetical protein 0.048 0.1006 0.9406
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.048 0.1006 1
Brugia malayi Disco-interacting protein 2 homolog 0.0042 0.0012 0.0116
Brugia malayi UDP galactose 4'-epimerase 0.0056 0.0045 0.042
Echinococcus multilocularis UDP glucose 4 epimerase 0.0056 0.0045 0.0404
Leishmania major histone deacetylase, putative 0.048 0.1006 0.9389
Loa Loa (eye worm) histone deacetylase 3 0.048 0.1006 0.9406
Toxoplasma gondii histone deacetylase HDAC4 0.0193 0.0354 0.3111

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.8 nM Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP ChEMBL. 16302797

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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