Detailed information for compound 940942

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.893 | Formula: C20H27ClN2O3
  • H donors: 4 H acceptors: 3 LogP: 3.66 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1cc(ccc1O)C(CNC(CCc1ccccc1)C)O.Cl
  • InChi: 1S/C20H26N2O3.ClH/c1-14(8-9-15-6-4-3-5-7-15)22-13-19(24)16-10-11-18(23)17(12-16)20(25)21-2;/h3-7,10-12,14,19,22-24H,8-9,13H2,1-2H3,(H,21,25);1H
  • InChiKey: KLBONUHFUPECFJ-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
Trypanosoma cruzi UDP-galactose 4-epimerase 0.005 0.0045 0.02
Echinococcus granulosus histone deacetylase 6 0.0327 0.0744 0.9606
Toxoplasma gondii histone deacetylase HDAC5 0.0148 0.0291 0.3655
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0326 0.0741 1
Loa Loa (eye worm) histone deacetylase 1 0.0326 0.0741 0.9962
Onchocerca volvulus 0.0038 0.0012 0.0425
Schistosoma mansoni UDP-glucose 4-epimerase 0.005 0.0045 0.058
Plasmodium vivax histone deacetylase 1, putative 0.0326 0.0741 0.996
Trichomonas vaginalis histone deacetylase, putative 0.0326 0.0741 1
Trichomonas vaginalis histone deacetylase, putative 0.0326 0.0741 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0326 0.0741 0.996
Echinococcus granulosus UDP glucose 4 epimerase 0.005 0.0045 0.058
Brugia malayi Histone deacetylase family protein 0.0327 0.0744 1
Toxoplasma gondii histone deacetylase HDAC1 0.0327 0.0744 1
Plasmodium vivax histone deacetylase 2, putative 0.0327 0.0744 1
Schistosoma mansoni histone deacetylase 4 5 0.0327 0.0744 0.9606
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.005 0.0045 0.0201
Echinococcus granulosus histone deacetylase 1 0.0326 0.0741 0.9569
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0126 0.1341
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.394 0.9887 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.005 0.0045 0.02
Echinococcus multilocularis histone deacetylase 3 0.0326 0.0741 0.9569
Plasmodium falciparum histone deacetylase 1 0.0326 0.0741 0.996
Schistosoma mansoni histone deacetylase 0.0326 0.0741 0.9569
Brugia malayi histone deacetylase 11 0.0148 0.0291 0.3916
Schistosoma mansoni histone deacetylase 4 5 0.0327 0.0744 0.9606
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0045 0.0031 0.0395
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.3985 1 1
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.005 0.0045 0.0604
Trichomonas vaginalis histone deacetylase, putative 0.0326 0.0741 1
Trypanosoma cruzi histone deacetylase, putative 0.0327 0.0744 1
Echinococcus granulosus histone deacetylase 3 0.0326 0.0741 0.9569
Entamoeba histolytica histone deacetylase, putative 0.0326 0.0741 1
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0045 0.0031 0.0411
Loa Loa (eye worm) hypothetical protein 0.0148 0.0291 0.3916
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0012 0.016
Loa Loa (eye worm) histone deacetylase 11 0.0148 0.0291 0.3916
Leishmania major histone deacetylase, putative 0.0327 0.0744 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0045 0.0031 0.0395
Leishmania major histone deacetylase, putative 0.0327 0.0744 1
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0045 0.0031 0.0411
Echinococcus granulosus histone deacetylase 6 0.0327 0.0744 0.9606
Schistosoma mansoni histone deacetylase 0.0326 0.0741 0.9569
Schistosoma mansoni histone deacetylase hda2 0.0148 0.0291 0.3762
Trypanosoma cruzi histone deacetylase, putative 0.0327 0.0744 1
Trypanosoma cruzi histone deacetylase, putative 0.0148 0.0291 0.3655
Brugia malayi Histone deacetylase 1 0.0326 0.0741 0.9962
Echinococcus granulosus histone deacetylase 8 0.0148 0.0291 0.3762
Brugia malayi Histone deacetylase family protein 0.0327 0.0744 1
Echinococcus granulosus histone deacetylase 7 0.0327 0.0744 0.9606
Schistosoma mansoni histone deacetylase hda2 0.0339 0.0775 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0148 0.0291 0.3762
Echinococcus multilocularis histone deacetylase 1 0.0326 0.0741 0.9569
Echinococcus granulosus histone deacetylase 0.0327 0.0744 0.9606
Loa Loa (eye worm) histone deacetylase 7A 0.0327 0.0744 1
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.005 0.0045 0.0201
Onchocerca volvulus Histone deacetylase 10 homolog 0.0148 0.0291 1
Trypanosoma brucei histone deacetylase 3 0.0327 0.0744 1
Toxoplasma gondii histone deacetylase HDAC3 0.0326 0.0741 0.996
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0012 0.0166
Brugia malayi UDP galactose 4'-epimerase 0.005 0.0045 0.0604
Echinococcus multilocularis UDP glucose 4 epimerase 0.005 0.0045 0.058
Leishmania major histone deacetylase, putative 0.0326 0.0741 0.996
Loa Loa (eye worm) histone deacetylase 3 0.0326 0.0741 0.9962
Toxoplasma gondii histone deacetylase HDAC4 0.0148 0.0291 0.3655
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0012 0.016
Trypanosoma cruzi histone deacetylase, putative 0.0148 0.0291 0.3655
Loa Loa (eye worm) hypothetical protein 0.0326 0.0741 0.9962
Echinococcus multilocularis histone deacetylase 6 0.0339 0.0775 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0326 0.0741 1
Trypanosoma brucei histone deacetylase 1 0.0326 0.0741 0.996
Brugia malayi histone deacetylase 3 (HD3) 0.0326 0.0741 0.9962
Leishmania major udp-glc 4-epimerase, putative 0.0049 0.004 0.0137
Echinococcus granulosus disco interacting protein 2 0.0038 0.0012 0.016
Brugia malayi histone deacetylase 1 (HD1) 0.0326 0.0741 0.9962
Loa Loa (eye worm) hypothetical protein 0.0191 0.0401 0.5382
Toxoplasma gondii hypothetical protein 0.0083 0.0126 0.1341
Trypanosoma cruzi histone deacetylase, putative 0.0327 0.0744 1
Plasmodium vivax histone deacetylase, putative 0.0148 0.0291 0.3655
Loa Loa (eye worm) histone deacetylase 0.0327 0.0744 1
Giardia lamblia Histone deacetylase 0.0326 0.0741 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.005 0.0045 0.0201
Trypanosoma cruzi histone deacetylase 1, putative 0.0326 0.0741 0.996
Trichomonas vaginalis histone deacetylase, putative 0.0326 0.0741 1
Plasmodium falciparum histone deacetylase, putative 0.0327 0.0744 1
Plasmodium vivax histone deacetylase, putative 0.0327 0.0744 1
Echinococcus granulosus histone deacetylase 6 0.0339 0.0775 1
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.005 0.0045 0.02
Toxoplasma gondii histone deacetylase HDAC2 0.0326 0.0741 0.996
Trypanosoma brucei UDP-galactose 4-epimerase 0.0049 0.004 0.0137
Loa Loa (eye worm) hypothetical protein 0.0179 0.037 0.4972
Trichomonas vaginalis histone deacetylase, putative 0.0326 0.0741 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.005 0.0045 0.0201
Echinococcus multilocularis histone deacetylase 6 0.0327 0.0744 0.9606
Loa Loa (eye worm) hypothetical protein 0.0038 0.0012 0.0166
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0326 0.0741 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0045 0.0031 0.0395
Echinococcus multilocularis histone deacetylase 0.0327 0.0744 0.9606
Trichomonas vaginalis histone deacetylase, putative 0.0326 0.0741 1
Trypanosoma brucei histone deacetylase 4 0.0327 0.0744 1
Giardia lamblia UDP-glucose 4-epimerase 0.0049 0.004 0.0138
Trypanosoma brucei histone deacetylase, putative 0.0327 0.0744 1
Echinococcus multilocularis histone deacetylase 8 0.0148 0.0291 0.3762
Leishmania major histone deacetylase, putative 0.0326 0.0741 0.996
Trypanosoma brucei histone deacetylase 2 0.0148 0.0291 0.3655
Echinococcus multilocularis histone deacetylase 7 0.0327 0.0744 0.9606
Echinococcus multilocularis histone deacetylase 6 0.0327 0.0744 0.9606
Plasmodium falciparum histone deacetylase 2 0.0327 0.0744 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.

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