Detailed information for compound 1166145

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.806 | Formula: C18H18ClN3O4
  • H donors: 4 H acceptors: 3 LogP: 1.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)COc1ccc2c(c1)CN[C@@H](C2)C(=O)Nc1cccc(c1)Cl
  • InChi: 1S/C18H18ClN3O4/c19-13-2-1-3-14(8-13)21-18(24)16-7-11-4-5-15(6-12(11)9-20-16)26-10-17(23)22-25/h1-6,8,16,20,25H,7,9-10H2,(H,21,24)(H,22,23)/t16-/m0/s1
  • InChiKey: LBJBWKZWTYXHJP-INIZCTEOSA-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
Trypanosoma cruzi histone deacetylase 1, putative 0.0022 0.0825 1
Echinococcus multilocularis histone deacetylase 3 0.0022 0.0825 0.076
Brugia malayi Histone deacetylase family protein 0.0022 0.0825 0.0551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.5775 0.7154
Entamoeba histolytica histone deacetylase, putative 0.0022 0.0825 1
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0825 0.0698
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0825 1
Plasmodium vivax histone deacetylase, putative 0.0022 0.0825 1
Brugia malayi Histone deacetylase 1 0.0022 0.0825 0.0551
Giardia lamblia Histone deacetylase 0.0022 0.0825 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.029 0.5
Echinococcus granulosus histone deacetylase 1 0.0022 0.0825 0.076
Toxoplasma gondii histone deacetylase HDAC2 0.0022 0.0825 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.3186 0.4112
Schistosoma mansoni histone deacetylase 0.0022 0.0825 0.0698
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0825 1
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0825 0.076
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.029 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.5775 0.7154
Loa Loa (eye worm) histone deacetylase 7A 0.0022 0.0825 0.0892
Brugia malayi Bromodomain containing protein 0.0037 0.3599 0.3408
Trichomonas vaginalis histone deacetylase, putative 0.0022 0.0825 1
Loa Loa (eye worm) histone deacetylase 3 0.0022 0.0825 0.0892
Schistosoma mansoni hypothetical protein 0.002 0.0518 0.0297
Plasmodium falciparum histone deacetylase 1 0.0022 0.0825 1
Echinococcus granulosus histone deacetylase 6 0.0022 0.0825 0.076
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.029 0.0313
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.7332 1
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0825 0.076
Leishmania major histone deacetylase, putative 0.0022 0.0825 1
Echinococcus granulosus histone deacetylase 6 0.0022 0.0825 0.076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.5775 0.7789
Schistosoma mansoni bromodomain containing protein 0.0062 0.7956 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.5775 0.7154
Echinococcus multilocularis histone deacetylase 7 0.0022 0.0825 0.076
Trypanosoma brucei histone deacetylase 3 0.0022 0.0825 1
Echinococcus granulosus histone deacetylase 7 0.0022 0.0825 0.076
Schistosoma mansoni histone deacetylase 1 2 3 0.0022 0.0825 0.0698
Echinococcus granulosus histone deacetylase 0.0022 0.0825 0.076
Toxoplasma gondii histone deacetylase HDAC5 0.0022 0.0825 1
Echinococcus granulosus zinc finger protein 0.0019 0.0333 0.0061
Echinococcus granulosus histone deacetylase 6 0.0022 0.0825 0.076
Loa Loa (eye worm) histone deacetylase 0.0022 0.0825 0.0892
Trichomonas vaginalis histone deacetylase, putative 0.0022 0.0825 1
Echinococcus granulosus histone deacetylase 3 0.0022 0.0825 0.076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.5775 0.7789
Trypanosoma brucei histone deacetylase 4 0.0022 0.0825 1
Echinococcus multilocularis histone deacetylase 0.0022 0.0825 0.076
Brugia malayi Histone deacetylase family protein 0.0022 0.0825 0.0551
Plasmodium vivax histone deacetylase 2, putative 0.0022 0.0825 1
Loa Loa (eye worm) histone deacetylase 11 0.0022 0.0825 0.0892
Trichomonas vaginalis histone deacetylase, putative 0.0022 0.0825 1
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0825 0.076
Loa Loa (eye worm) hypothetical protein 0.0069 0.9254 1
Brugia malayi histone deacetylase 3 (HD3) 0.0022 0.0825 0.0551
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.5775 0.5648
Plasmodium vivax histone deacetylase, putative 0.0022 0.0825 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0825 0.0892
Onchocerca volvulus Histone deacetylase 10 homolog 0.0022 0.0825 0.5
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0825 0.0698
Toxoplasma gondii histone deacetylase HDAC4 0.0022 0.0825 1
Leishmania major histone deacetylase, putative 0.0022 0.0825 1
Echinococcus multilocularis histone deacetylase 8 0.0022 0.0825 0.076
Trichomonas vaginalis histone deacetylase, putative 0.0022 0.0825 1
Toxoplasma gondii histone deacetylase HDAC1 0.0022 0.0825 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0825 0.0892
Trypanosoma brucei histone deacetylase 2 0.0022 0.0825 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.4357 0.4709
Brugia malayi histone deacetylase 1 (HD1) 0.0022 0.0825 0.0551
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0825 1
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0825 0.0698
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.029 0.5
Plasmodium falciparum histone deacetylase 2 0.0022 0.0825 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0022 0.0825 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0851 0.0731
Trypanosoma cruzi histone deacetylase 1, putative 0.0022 0.0825 1
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0825 0.0698
Brugia malayi PHD-finger family protein 0.0024 0.1264 0.1003
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.029 0.5
Leishmania major histone deacetylase, putative 0.0022 0.0825 1
Trichomonas vaginalis histone deacetylase, putative 0.0022 0.0825 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0333 0.0061
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0851 0.0796
Schistosoma mansoni zinc finger protein 0.0019 0.0333 0.0056
Schistosoma mansoni histone deacetylase 0.0022 0.0825 0.0698
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.5775 0.624
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0851 0.0796
Trypanosoma brucei histone deacetylase 1 0.0022 0.0825 1
Plasmodium vivax histone deacetylase 1, putative 0.0022 0.0825 1
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0825 1
Toxoplasma gondii histone deacetylase HDAC3 0.0022 0.0825 1
Loa Loa (eye worm) hypothetical protein 0.004 0.4024 0.4348
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0825 1
Plasmodium falciparum histone deacetylase, putative 0.0022 0.0825 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.7332 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0022 0.0825 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.3186 0.4112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.5775 0.7789
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0022 0.0825 1
Brugia malayi histone deacetylase 11 0.0022 0.0825 0.0551
Trichomonas vaginalis histone deacetylase, putative 0.0022 0.0825 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.3611 0.3902
Trypanosoma brucei histone deacetylase, putative 0.0022 0.0825 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.5775 0.7789
Echinococcus granulosus histone deacetylase 8 0.0022 0.0825 0.076
Echinococcus multilocularis histone deacetylase 1 0.0022 0.0825 0.076
Leishmania major histone deacetylase, putative 0.0022 0.0825 1
Loa Loa (eye worm) histone deacetylase 1 0.0022 0.0825 0.0892
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0518 0.0559

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.

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