Detailed information for compound 991344

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.359 | Formula: C19H20O6
  • H donors: 1 H acceptors: 3 LogP: 3.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(=O)oc2c1c(OCC(=O)O)c(C)c1c2C=CC(O1)(C)C
  • InChi: 1S/C19H20O6/c1-5-11-8-14(22)24-18-12-6-7-19(3,4)25-16(12)10(2)17(15(11)18)23-9-13(20)21/h6-8H,5,9H2,1-4H3,(H,20,21)
  • InChiKey: LJNZVIKVHWIDJS-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
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0051 0.0045 0.0299
Leishmania major histone deacetylase, putative 0.0238 0.0509 1
Echinococcus multilocularis histone deacetylase 0.0214 0.045 0.8842
Trypanosoma brucei histone deacetylase, putative 0.0214 0.045 0.8768
Schistosoma mansoni histone deacetylase hda2 0.022 0.0465 0.9142
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0046 0.0031 0.0602
Toxoplasma gondii histone deacetylase HDAC5 0.0102 0.0171 0.2946
Toxoplasma gondii histone deacetylase HDAC4 0.0102 0.0171 0.2946
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0012 0.0244
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0046 0.0031 0.0602
Plasmodium falciparum histone deacetylase 1 0.0238 0.0509 1
Trypanosoma brucei histone deacetylase 1 0.0238 0.0509 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0046 0.0031 0.0602
Trichomonas vaginalis histone deacetylase, putative 0.0238 0.0509 1
Echinococcus multilocularis histone deacetylase 1 0.0238 0.0509 1
Trypanosoma cruzi histone deacetylase, putative 0.0214 0.045 0.8768
Loa Loa (eye worm) histone deacetylase 11 0.0102 0.0171 0.3371
Trypanosoma cruzi histone deacetylase, putative 0.0102 0.0171 0.2946
Schistosoma mansoni histone deacetylase 4 5 0.0214 0.045 0.8842
Trypanosoma cruzi histone deacetylase, putative 0.0102 0.0171 0.2946
Echinococcus multilocularis histone deacetylase 8 0.0102 0.0171 0.3371
Brugia malayi histone deacetylase 1 (HD1) 0.0238 0.0509 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0238 0.0509 1
Schistosoma mansoni histone deacetylase 0.0238 0.0509 1
Trypanosoma brucei histone deacetylase 4 0.0214 0.045 0.8768
Brugia malayi Histone deacetylase 1 0.0238 0.0509 1
Toxoplasma gondii histone deacetylase HDAC3 0.0238 0.0509 1
Schistosoma mansoni histone deacetylase 0.0238 0.0509 1
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0051 0.0045 0.0883
Plasmodium vivax histone deacetylase, putative 0.0102 0.0171 0.2946
Echinococcus multilocularis histone deacetylase 7 0.0214 0.045 0.8842
Plasmodium falciparum histone deacetylase, putative 0.0214 0.045 0.8768
Onchocerca volvulus 0.0038 0.0012 0.0723
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0051 0.0045 0.0299
Leishmania major histone deacetylase, putative 0.0214 0.045 0.8768
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0051 0.0045 0.0299
Trypanosoma cruzi histone deacetylase 1, putative 0.0238 0.0509 1
Brugia malayi Histone deacetylase family protein 0.0214 0.045 0.8842
Echinococcus granulosus histone deacetylase 6 0.0214 0.045 0.8842
Echinococcus granulosus histone deacetylase 7 0.0214 0.045 0.8842
Brugia malayi UDP galactose 4'-epimerase 0.0051 0.0045 0.0883
Trichomonas vaginalis histone deacetylase, putative 0.0238 0.0509 1
Trichomonas vaginalis histone deacetylase, putative 0.0238 0.0509 1
Trichomonas vaginalis histone deacetylase, putative 0.0238 0.0509 1
Loa Loa (eye worm) hypothetical protein 0.0238 0.0509 1
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.4008 0.9887 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0045 0.0299
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0084 0.0126 0.2001
Trypanosoma cruzi histone deacetylase, putative 0.0214 0.045 0.8768
Schistosoma mansoni histone deacetylase 4 5 0.0214 0.045 0.8842
Toxoplasma gondii histone deacetylase HDAC1 0.0214 0.045 0.8768
Brugia malayi histone deacetylase 11 0.0102 0.0171 0.3371
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0046 0.0031 0.0602
Trichomonas vaginalis histone deacetylase, putative 0.0238 0.0509 1
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4054 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0238 0.0509 1
Loa Loa (eye worm) histone deacetylase 7A 0.0214 0.045 0.8842
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0238 0.0509 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.0051 0.0045 0.0299
Brugia malayi histone deacetylase 3 (HD3) 0.0238 0.0509 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0051 0.0045 0.0299
Trichomonas vaginalis histone deacetylase, putative 0.0238 0.0509 1
Trypanosoma brucei UDP-galactose 4-epimerase 0.005 0.004 0.0205
Trypanosoma cruzi histone deacetylase, putative 0.0214 0.045 0.8768
Loa Loa (eye worm) histone deacetylase 0.0214 0.045 0.8842
Loa Loa (eye worm) hypothetical protein 0.0112 0.0196 0.3845
Entamoeba histolytica histone deacetylase, putative 0.0238 0.0509 1
Echinococcus granulosus UDP glucose 4 epimerase 0.0051 0.0045 0.0883
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0046 0.0031 0.0602
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0012 0.0244
Echinococcus multilocularis histone deacetylase 6 0.0214 0.045 0.8842
Echinococcus granulosus histone deacetylase 1 0.0238 0.0509 1
Echinococcus multilocularis histone deacetylase 3 0.0238 0.0509 1
Echinococcus multilocularis histone deacetylase 6 0.0214 0.045 0.8842
Leishmania major udp-glc 4-epimerase, putative 0.005 0.004 0.0205
Giardia lamblia Histone deacetylase 0.0238 0.0509 1
Schistosoma mansoni histone deacetylase hda2 0.0102 0.0171 0.3371
Plasmodium vivax histone deacetylase 1, putative 0.0238 0.0509 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0171 0.3371
Echinococcus granulosus histone deacetylase 3 0.0238 0.0509 1
Echinococcus granulosus histone deacetylase 0.0214 0.045 0.8842
Trypanosoma cruzi histone deacetylase 1, putative 0.0238 0.0509 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0045 0.0299
Trypanosoma brucei histone deacetylase 2 0.0102 0.0171 0.2946
Leishmania major histone deacetylase, putative 0.0238 0.0509 1
Plasmodium vivax histone deacetylase 2, putative 0.0214 0.045 0.8768
Echinococcus multilocularis histone deacetylase 6 0.022 0.0465 0.9142
Schistosoma mansoni UDP-glucose 4-epimerase 0.0051 0.0045 0.0883
Loa Loa (eye worm) hypothetical protein 0.0038 0.0012 0.0244
Echinococcus multilocularis UDP glucose 4 epimerase 0.0051 0.0045 0.0883
Schistosoma mansoni histone deacetylase 1 2 3 0.0102 0.0171 0.3371
Echinococcus granulosus histone deacetylase 6 0.0214 0.045 0.8842
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0012 0.0244
Onchocerca volvulus Histone deacetylase 10 homolog 0.0102 0.0171 1
Trypanosoma brucei histone deacetylase 3 0.0214 0.045 0.8768
Brugia malayi Histone deacetylase family protein 0.0214 0.045 0.8842
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0238 0.0509 1
Echinococcus granulosus histone deacetylase 6 0.022 0.0465 0.9142
Plasmodium falciparum histone deacetylase 2 0.0214 0.045 0.8768
Giardia lamblia UDP-glucose 4-epimerase 0.005 0.004 0.0205
Loa Loa (eye worm) hypothetical protein 0.0118 0.0211 0.4144
Echinococcus granulosus disco interacting protein 2 0.0038 0.0012 0.0244
Plasmodium vivax histone deacetylase, putative 0.0214 0.045 0.8768
Echinococcus granulosus histone deacetylase 8 0.0102 0.0171 0.3371
Toxoplasma gondii hypothetical protein 0.0084 0.0126 0.2001
Loa Loa (eye worm) histone deacetylase 3 0.0238 0.0509 1
Leishmania major histone deacetylase, putative 0.0214 0.045 0.8768
Toxoplasma gondii histone deacetylase HDAC2 0.0238 0.0509 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against clinical isolate of Escherichia coli assessed as growth inhibition at 10 mg/ml after 16 to 20 hrs ChEMBL. 20573514
Activity (functional) Antibacterial activity against Escherichia coli 1655 assessed as growth inhibition at 10 mg/ml after 16 to 20 hrs ChEMBL. 20573514
Activity (functional) Antibacterial activity against Escherichia coli 1655 assessed as growth inhibition at 10 mg/ml after 16 to 20 hrs in presence of 0.2 mM L-histidine ChEMBL. 20573514

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

No literature references available for this target.

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