Detailed information for compound 688010

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.465 | Formula: C21H20FN3O4S
  • H donors: 2 H acceptors: 3 LogP: 3.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)C(=O)Nc1scc(n1)CC(=O)Nc1ccc(c(c1)F)C
  • InChi: 1S/C21H20FN3O4S/c1-12-4-5-14(8-18(12)22)23-19(26)9-15-11-30-21(24-15)25-20(27)13-6-16(28-2)10-17(7-13)29-3/h4-8,10-11H,9H2,1-3H3,(H,23,26)(H,24,25,27)
  • InChiKey: JVAMPEZOIHFZCA-UHFFFAOYSA-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 aminopeptidase, putative 0.024 0.2129 1
Entamoeba histolytica aminopeptidase, putative 0.024 0.2129 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.024 0.2129 1
Trichomonas vaginalis histone deacetylase, putative 0.0126 0.0579 0.2717
Giardia lamblia Histone deacetylase 0.0126 0.0579 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.024 0.2129 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Trypanosoma brucei Aminopeptidase M1, putative 0.024 0.2129 1
Echinococcus granulosus histone deacetylase 3 0.0126 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0126 0.0579 0.0654
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Trypanosoma brucei histone deacetylase 1 0.0126 0.0579 0.2717
Trypanosoma cruzi histone deacetylase 1, putative 0.0126 0.0579 0.2717
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.024 0.2129 1
Loa Loa (eye worm) histone deacetylase 1 0.0126 0.0579 0.0654
Echinococcus granulosus puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Trichomonas vaginalis histone deacetylase, putative 0.0126 0.0579 0.2717
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Mycobacterium ulcerans aminopeptidase N PepN 0.024 0.2129 1
Echinococcus multilocularis histone deacetylase 3 0.0126 0.0579 0.0579
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.024 0.2129 1
Brugia malayi Histone deacetylase 1 0.0126 0.0579 0.0579
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0126 0.0579 0.2717
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0155 0.0975 0.4578
Loa Loa (eye worm) hypothetical protein 0.0155 0.0975 0.1102
Onchocerca volvulus 0.0814 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.0126 0.0579 1
Loa Loa (eye worm) hypothetical protein 0.0574 0.6717 0.7593
Loa Loa (eye worm) histone deacetylase 3 0.0126 0.0579 0.0654
Echinococcus granulosus histone deacetylase 1 0.0126 0.0579 0.0579
Trichomonas vaginalis histone deacetylase, putative 0.0126 0.0579 0.2717
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0126 0.0579 0.2717
Echinococcus granulosus puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Trichomonas vaginalis histone deacetylase, putative 0.0126 0.0579 0.2717
Brugia malayi histone deacetylase 3 (HD3) 0.0126 0.0579 0.0579
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.024 0.2129 0.2129
Onchocerca volvulus 0.024 0.2129 0.2129
Loa Loa (eye worm) aminopeptidase N 0.024 0.2129 0.2407
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0126 0.0579 0.2717
Leishmania major histone deacetylase, putative 0.0126 0.0579 0.2717
Schistosoma mansoni histone deacetylase 0.0126 0.0579 0.2717
Trypanosoma cruzi Aminopeptidase M1, putative 0.024 0.2129 1
Echinococcus multilocularis histone deacetylase 1 0.0126 0.0579 0.0579
Plasmodium falciparum histone deacetylase 1 0.0126 0.0579 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Echinococcus granulosus puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.024 0.2129 1
Trichomonas vaginalis histone deacetylase, putative 0.0126 0.0579 0.2717
Loa Loa (eye worm) hypothetical protein 0.0155 0.0975 0.1102
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0155 0.0975 0.0975
Loa Loa (eye worm) peptidase family M1 containing protein 0.0658 0.7871 0.8898
Toxoplasma gondii histone deacetylase HDAC2 0.0126 0.0579 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0126 0.0579 0.2717
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0155 0.0975 0.4578
Brugia malayi hypothetical protein 0.024 0.2129 0.2129
Echinococcus multilocularis aminopeptidase N 0.0814 1 1
Trypanosoma brucei Aminopeptidase M1, putative 0.024 0.2129 1
Schistosoma mansoni histone deacetylase 0.0126 0.0579 0.2717
Plasmodium vivax histone deacetylase 1, putative 0.0126 0.0579 1
Loa Loa (eye worm) hypothetical protein 0.0729 0.8846 1
Trichomonas vaginalis histone deacetylase, putative 0.0126 0.0579 0.2717
Echinococcus granulosus aminopeptidase N 0.0814 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.024 0.2129 1
Brugia malayi histone deacetylase 1 (HD1) 0.0126 0.0579 0.0579
Brugia malayi Peptidase family M1 containing protein 0.024 0.2129 0.2129
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.024 0.2129 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.024 0.2129 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.024 0.2129 0.2129
Leishmania major histone deacetylase, putative 0.0126 0.0579 0.2717

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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