Detailed information for compound 927653

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 227.058 | Formula: C8H7BrN2O
  • H donors: 0 H acceptors: 1 LogP: 1.38 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrC1=NOC(C1)c1ccncc1
  • InChi: 1S/C8H7BrN2O/c9-8-5-7(12-11-8)6-1-3-10-4-2-6/h1-4,7H,5H2
  • InChiKey: MGOQQSNXVLSYDY-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
Onchocerca volvulus Histone deacetylase 10 homolog 0.1465 0.5511 1
Echinococcus multilocularis histone deacetylase 6 0.259 0.9828 0.9828
Trypanosoma cruzi histone deacetylase 1, putative 0.2458 0.9323 0.9483
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2458 0.9323 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0061 0.0062
Schistosoma mansoni histone deacetylase hda2 0.1465 0.5511 0.5511
Loa Loa (eye worm) hypothetical protein 0.2458 0.9323 0.9487
Onchocerca volvulus 0.0231 0.0774 0.1404
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0045 0.0061 0.0062
Echinococcus multilocularis BRCA1 associated protein 0.0045 0.0061 0.0061
Echinococcus granulosus histone deacetylase 6 0.259 0.9828 0.9828
Echinococcus multilocularis histone deacetylase 3 0.2458 0.9323 0.9323
Trypanosoma cruzi histone deacetylase, putative 0.1465 0.5511 0.5581
Brugia malayi Histone deacetylase family protein 0.259 0.9828 1
Trichomonas vaginalis histone deacetylase, putative 0.2458 0.9323 1
Echinococcus multilocularis histone deacetylase 7 0.259 0.9828 0.9828
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0045 0.0061 0.0061
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0045 0.0061 0.0062
Trichomonas vaginalis histone deacetylase, putative 0.2458 0.9323 1
Echinococcus granulosus histone deacetylase 8 0.1465 0.5511 0.5511
Echinococcus granulosus BRCA1 associated protein 0.0045 0.0061 0.0061
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0045 0.0061 0.0061
Echinococcus multilocularis histone deacetylase 6 0.2635 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.2458 0.9323 0.9487
Echinococcus granulosus histone deacetylase 7 0.259 0.9828 0.9828
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0045 0.0061 0.0061
Plasmodium falciparum histone deacetylase, putative 0.259 0.9828 1
Brugia malayi histone deacetylase 3 (HD3) 0.2458 0.9323 0.9487
Entamoeba histolytica histone deacetylase, putative 0.2458 0.9323 1
Trichomonas vaginalis histone deacetylase, putative 0.2458 0.9323 1
Toxoplasma gondii histone deacetylase HDAC4 0.1465 0.5511 0.5608
Leishmania major histone deacetylase, putative 0.259 0.9828 1
Trypanosoma cruzi histone deacetylase, putative 0.259 0.9828 1
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0045 0.0061 0.0062
Loa Loa (eye worm) hypothetical protein 0.1125 0.4205 0.4278
Brugia malayi Pre-SET motif family protein 0.0203 0.0667 0.0678
Trypanosoma brucei histone deacetylase 1 0.2458 0.9323 0.9483
Schistosoma mansoni histone deacetylase 4 5 0.259 0.9828 0.9828
Brugia malayi histone deacetylase 11 0.1465 0.5511 0.5608
Echinococcus multilocularis histone deacetylase 6 0.259 0.9828 0.9828
Trypanosoma brucei histone deacetylase 4 0.259 0.9828 1
Plasmodium vivax histone deacetylase, putative 0.259 0.9828 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0045 0.0061 0.0061
Echinococcus granulosus histone deacetylase 3 0.2458 0.9323 0.9323
Brugia malayi histone deacetylase 1 (HD1) 0.2458 0.9323 0.9487
Plasmodium falciparum histone deacetylase 1 0.2458 0.9323 0.9483
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0045 0.0061 0.0061
Schistosoma mansoni histone deacetylase 0.2458 0.9323 0.9323
Trichomonas vaginalis set domain proteins, putative 0.0231 0.0774 0.077
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2458 0.9323 1
Trypanosoma cruzi histone deacetylase 1, putative 0.2458 0.9323 0.9483
Plasmodium vivax U4/U6.U5 tri-snRNP-associated protein 2, putative 0.0045 0.0061 0.0062
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0045 0.0061 0.0062
Toxoplasma gondii histone deacetylase HDAC5 0.1465 0.5511 0.5608
Trypanosoma brucei histone deacetylase 3 0.259 0.9828 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0045 0.0061 0.0061
Trypanosoma brucei histone deacetylase, putative 0.259 0.9828 1
Schistosoma mansoni brca1-associated protein (brap2) 0.0045 0.0061 0.0061
Schistosoma mansoni histone deacetylase 1 2 3 0.1465 0.5511 0.5511
Loa Loa (eye worm) histone deacetylase 1 0.2458 0.9323 0.9487
Brugia malayi Histone deacetylase 1 0.2458 0.9323 0.9487
Plasmodium vivax histone deacetylase 1, putative 0.2458 0.9323 0.9487
Loa Loa (eye worm) hypothetical protein 0.117 0.4377 0.4454
Plasmodium vivax histone deacetylase, putative 0.1465 0.5511 0.5608
Plasmodium vivax histone deacetylase 2, putative 0.259 0.9828 1
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0045 0.0061 0.0061
Trichomonas vaginalis histone deacetylase, putative 0.2458 0.9323 1
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0045 0.0061 0.0062
Schistosoma mansoni histone deacetylase 0.2458 0.9323 0.9323
Echinococcus multilocularis histone deacetylase 8 0.1465 0.5511 0.5511
Schistosoma mansoni brca1-associated protein (brap2) 0.0045 0.0061 0.0061
Loa Loa (eye worm) histone deacetylase 7A 0.259 0.9828 1
Leishmania major histone deacetylase, putative 0.259 0.9828 1
Echinococcus granulosus histone deacetylase 6 0.259 0.9828 0.9828
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0045 0.0061 0.0062
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0045 0.0061 0.0062
Giardia lamblia Histone deacetylase 0.2458 0.9323 1
Plasmodium falciparum histone deacetylase 2 0.259 0.9828 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2458 0.9323 1
Schistosoma mansoni histone deacetylase hda2 0.2635 1 1
Echinococcus granulosus histone deacetylase 1 0.2458 0.9323 0.9323
Loa Loa (eye worm) histone deacetylase 11 0.1465 0.5511 0.5608
Toxoplasma gondii histone deacetylase HDAC3 0.2458 0.9323 0.9487
Leishmania major histone deacetylase, putative 0.2458 0.9323 0.9483
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0045 0.0061 0.0062
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0045 0.0061 0.0061
Trichomonas vaginalis histone deacetylase, putative 0.2458 0.9323 1
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0061 0.0062
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase 13, putative 0.0045 0.0061 0.0062
Trypanosoma brucei histone deacetylase 2 0.1465 0.5511 0.5581
Onchocerca volvulus Uncharacterized RING finger protein homolog 0.0045 0.0061 0.011
Echinococcus multilocularis histone deacetylase 1 0.2458 0.9323 0.9323
Brugia malayi BRCA1-associated protein 2 containing protein 0.0045 0.0061 0.0062
Schistosoma mansoni histone deacetylase 4 5 0.259 0.9828 0.9828
Loa Loa (eye worm) histone deacetylase 0.259 0.9828 1
Brugia malayi Histone deacetylase family protein 0.259 0.9828 1
Toxoplasma gondii histone deacetylase HDAC1 0.259 0.9828 1
Leishmania major histone deacetylase, putative 0.2458 0.9323 0.9483
Trichomonas vaginalis histone deacetylase, putative 0.2458 0.9323 1
Echinococcus granulosus histone deacetylase 0.259 0.9828 0.9828
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0061 0.0062
Echinococcus multilocularis histone deacetylase 0.259 0.9828 0.9828
Trypanosoma cruzi histone deacetylase, putative 0.1465 0.5511 0.5581
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0061 0.0062
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.0667 0.0678
Loa Loa (eye worm) hypothetical protein 0.1465 0.5511 0.5608
Loa Loa (eye worm) histone deacetylase 3 0.2458 0.9323 0.9487
Trypanosoma cruzi histone deacetylase, putative 0.259 0.9828 1
Trypanosoma cruzi histone deacetylase, putative 0.259 0.9828 1

Activities

Activity type Activity value Assay description Source Reference
Ratio (binding) = 0.47 /M/s Inhibition of recombinant Plasmodium falciparum GAPDH expressed in Escherichia coli assessed as ratio of kinact to Ki by Kitz-Wilson double-reciprocal plot ChEMBL. 25137375

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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