Detailed information for compound 1639440

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.364 | Formula: C18H21NO4
  • H donors: 3 H acceptors: 3 LogP: 2.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)[C@]([C@H](O)C)(OCc1ccc(cc1)c1ccccc1)C
  • InChi: 1S/C18H21NO4/c1-13(20)18(2,17(21)19-22)23-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,20,22H,12H2,1-2H3,(H,19,21)/t13-,18+/m1/s1
  • InChiKey: HKHLJBBDUOPRQN-ACJLOTCBSA-N  

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) hypothetical protein 0.0413 0.0144 0.0153
Echinococcus granulosus histone deacetylase 3 0.4784 0.8234 0.8234
Brugia malayi histone deacetylase 3 (HD3) 0.4784 0.8234 0.8778
Giardia lamblia Histone deacetylase 0.4784 0.8234 1
Schistosoma mansoni histone deacetylase hda2 0.2314 0.3662 0.3662
Trypanosoma brucei histone deacetylase 3 0.5404 0.938 1
Brugia malayi histone deacetylase 1 (HD1) 0.4784 0.8234 0.8778
Brugia malayi Histone deacetylase family protein 0.5404 0.938 1
Trypanosoma cruzi histone deacetylase, putative 0.5404 0.938 1
Toxoplasma gondii histone deacetylase HDAC2 0.4784 0.8234 0.8778
Plasmodium falciparum histone deacetylase, putative 0.5404 0.938 1
Echinococcus multilocularis histone deacetylase 0.5404 0.938 0.938
Trypanosoma cruzi histone deacetylase, putative 0.5404 0.938 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0413 0.0144 0.0153
Echinococcus multilocularis histone deacetylase 6 0.5404 0.938 0.938
Plasmodium vivax histone deacetylase, putative 0.2314 0.3662 0.3904
Trichomonas vaginalis histone deacetylase, putative 0.4784 0.8234 1
Leishmania major C-8 sterol isomerase-like protein 0.0413 0.0144 0.0153
Leishmania major histone deacetylase, putative 0.4784 0.8234 0.8778
Schistosoma mansoni histone deacetylase 0.4784 0.8234 0.8234
Schistosoma mansoni histone deacetylase 1 2 3 0.2314 0.3662 0.3662
Entamoeba histolytica histone deacetylase, putative 0.4784 0.8234 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4784 0.8234 1
Echinococcus multilocularis histone deacetylase 6 0.5404 0.938 0.938
Brugia malayi Histone deacetylase family protein 0.5404 0.938 1
Trichomonas vaginalis histone deacetylase, putative 0.4784 0.8234 1
Loa Loa (eye worm) histone deacetylase 11 0.2314 0.3662 0.3904
Loa Loa (eye worm) histone deacetylase 7A 0.5404 0.938 1
Loa Loa (eye worm) histone deacetylase 3 0.4784 0.8234 0.8778
Loa Loa (eye worm) hypothetical protein 0.4784 0.8234 0.8778
Loa Loa (eye worm) histone deacetylase 1 0.4784 0.8234 0.8778
Loa Loa (eye worm) hypothetical protein 0.309 0.5098 0.5435
Plasmodium vivax histone deacetylase 2, putative 0.5404 0.938 1
Echinococcus granulosus histone deacetylase 7 0.5404 0.938 0.938
Brugia malayi Histone deacetylase 1 0.4784 0.8234 0.8778
Echinococcus granulosus histone deacetylase 6 0.5404 0.938 0.938
Loa Loa (eye worm) histone deacetylase 0.5404 0.938 1
Schistosoma mansoni histone deacetylase hda2 0.5739 1 1
Plasmodium vivax histone deacetylase 1, putative 0.4784 0.8234 0.8778
Toxoplasma gondii histone deacetylase HDAC1 0.5404 0.938 1
Trypanosoma brucei histone deacetylase, putative 0.5404 0.938 1
Loa Loa (eye worm) hypothetical protein 0.3425 0.5718 0.6096
Toxoplasma gondii histone deacetylase HDAC4 0.2314 0.3662 0.3904
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0413 0.0144 0.0153
Schistosoma mansoni histone deacetylase 4 5 0.5404 0.938 0.938
Trichomonas vaginalis histone deacetylase, putative 0.4784 0.8234 1
Schistosoma mansoni histone deacetylase 0.4784 0.8234 0.8234
Echinococcus multilocularis histone deacetylase 1 0.4784 0.8234 0.8234
Onchocerca volvulus Histone deacetylase 10 homolog 0.2314 0.3662 1
Loa Loa (eye worm) hypothetical protein 0.2314 0.3662 0.3904
Trypanosoma cruzi histone deacetylase, putative 0.5404 0.938 1
Echinococcus granulosus histone deacetylase 0.5404 0.938 0.938
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4784 0.8234 1
Toxoplasma gondii histone deacetylase HDAC5 0.2314 0.3662 0.3904
Trypanosoma cruzi histone deacetylase 1, putative 0.4784 0.8234 0.8778
Brugia malayi histone deacetylase 11 0.2314 0.3662 0.3904
Echinococcus granulosus histone deacetylase 1 0.4784 0.8234 0.8234
Trypanosoma cruzi histone deacetylase 1, putative 0.4784 0.8234 0.8778
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4784 0.8234 1
Echinococcus multilocularis histone deacetylase 6 0.5739 1 1
Leishmania major histone deacetylase, putative 0.4784 0.8234 0.8778
Trypanosoma cruzi histone deacetylase, putative 0.2314 0.3662 0.3904
Trichomonas vaginalis histone deacetylase, putative 0.4784 0.8234 1
Trichomonas vaginalis histone deacetylase, putative 0.4784 0.8234 1
Plasmodium falciparum histone deacetylase 2 0.5404 0.938 1
Echinococcus multilocularis histone deacetylase 7 0.5404 0.938 0.938
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0413 0.0144 0.0153
Trypanosoma brucei histone deacetylase 4 0.5404 0.938 1
Echinococcus multilocularis histone deacetylase 8 0.2314 0.3662 0.3662
Toxoplasma gondii histone deacetylase HDAC3 0.4784 0.8234 0.8778
Schistosoma mansoni histone deacetylase 4 5 0.5404 0.938 0.938
Leishmania major histone deacetylase, putative 0.5404 0.938 1
Trypanosoma cruzi histone deacetylase, putative 0.2314 0.3662 0.3904
Leishmania major histone deacetylase, putative 0.5404 0.938 1
Echinococcus multilocularis histone deacetylase 3 0.4784 0.8234 0.8234
Trypanosoma brucei histone deacetylase 2 0.2314 0.3662 0.3904
Echinococcus granulosus histone deacetylase 6 0.5404 0.938 0.938
Echinococcus granulosus histone deacetylase 8 0.2314 0.3662 0.3662
Plasmodium falciparum histone deacetylase 1 0.4784 0.8234 0.8778
Trichomonas vaginalis histone deacetylase, putative 0.4784 0.8234 1
Trypanosoma brucei histone deacetylase 1 0.4784 0.8234 0.8778
Plasmodium vivax histone deacetylase, putative 0.5404 0.938 1

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.