Detailed information for compound 1257880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.735 | Formula: C17H12ClNO3
  • H donors: 1 H acceptors: 2 LogP: 4.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)[nH]/c(=C\C(=O)c1ccccc1Cl)/c(=O)o2
  • InChi: 1S/C17H12ClNO3/c1-10-6-7-16-13(8-10)19-14(17(21)22-16)9-15(20)11-4-2-3-5-12(11)18/h2-9,19H,1H3/b14-9-
  • InChiKey: OXJSUXDINNMZEH-ZROIWOOFSA-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
Echinococcus granulosus histone deacetylase 0.0593 0.9749 0.9749
Echinococcus multilocularis histone deacetylase 6 0.0593 0.9749 0.9749
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0472 0.4896 0.5
Plasmodium vivax histone deacetylase, putative 0.0593 0.9749 1
Echinococcus granulosus histone deacetylase 6 0.0593 0.9749 0.9749
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0351 0 0.5
Chlamydia trachomatis peptide deformylase 0.0472 0.4896 0.5
Leishmania major histone deacetylase, putative 0.0593 0.9749 1
Mycobacterium ulcerans peptide deformylase 0.0472 0.4896 0.5
Loa Loa (eye worm) histone deacetylase 7A 0.0593 0.9749 1
Trypanosoma brucei histone deacetylase 3 0.0593 0.9749 1
Echinococcus multilocularis histone deacetylase 0.0593 0.9749 0.9749
Trypanosoma brucei histone deacetylase 4 0.0593 0.9749 1
Toxoplasma gondii histone deacetylase HDAC1 0.0593 0.9749 1
Trypanosoma cruzi histone deacetylase, putative 0.0593 0.9749 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0472 0.4896 0.5
Loa Loa (eye worm) hypothetical protein 0.0427 0.3088 0.3168
Trichomonas vaginalis histone deacetylase, putative 0.0351 0 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0351 0 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0351 0 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0351 0 0.5
Echinococcus multilocularis histone deacetylase 6 0.0599 1 1
Leishmania major histone deacetylase, putative 0.0593 0.9749 1
Echinococcus multilocularis histone deacetylase 7 0.0593 0.9749 0.9749
Loa Loa (eye worm) hypothetical protein 0.0434 0.3339 0.3425
Treponema pallidum polypeptide deformylase (def) 0.0472 0.4896 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0472 0.4896 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0351 0 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0351 0 0.5
Echinococcus granulosus histone deacetylase 7 0.0593 0.9749 0.9749
Entamoeba histolytica histone deacetylase, putative 0.0351 0 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0351 0 0.5
Plasmodium falciparum histone deacetylase, putative 0.0593 0.9749 1
Plasmodium vivax histone deacetylase 2, putative 0.0593 0.9749 1
Trichomonas vaginalis histone deacetylase, putative 0.0351 0 0.5
Echinococcus multilocularis histone deacetylase 6 0.0593 0.9749 0.9749
Brugia malayi Histone deacetylase family protein 0.0593 0.9749 1
Schistosoma mansoni histone deacetylase 4 5 0.0593 0.9749 0.9749
Echinococcus granulosus histone deacetylase 6 0.0593 0.9749 0.9749
Plasmodium falciparum peptide deformylase 0.0472 0.4896 0.5022
Plasmodium falciparum histone deacetylase 2 0.0593 0.9749 1
Schistosoma mansoni histone deacetylase 4 5 0.0593 0.9749 0.9749
Trypanosoma brucei histone deacetylase, putative 0.0593 0.9749 1
Plasmodium vivax peptide deformylase, putative 0.0472 0.4896 0.5022
Giardia lamblia Histone deacetylase 0.0351 0 0.5
Schistosoma mansoni histone deacetylase hda2 0.0599 1 1
Loa Loa (eye worm) histone deacetylase 0.0593 0.9749 1
Brugia malayi Histone deacetylase family protein 0.0593 0.9749 1
Toxoplasma gondii hypothetical protein 0.0472 0.4896 0.5022
Trypanosoma cruzi histone deacetylase, putative 0.0593 0.9749 1
Trypanosoma cruzi histone deacetylase, putative 0.0593 0.9749 1

Activities

Activity type Activity value Assay description Source Reference
GI (functional) Antibacterial activity against Escherichia coli M17 assessed as bacterial growth inhibition ChEMBL. 20850304
Inhibition (binding) Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) up to 100 uM by double-reciprocal plot analysis ChEMBL. 20850304
MIC (functional) = 100 ug ml-1 Antibacterial activity against Mycobacterium tuberculosis H37Rv after 5 to 7 days by alamar blue assay ChEMBL. 20850304

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

1 literature reference was collected for this gene.

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