Detailed information for compound 827007

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.294 | Formula: C20H18BrN5O
  • H donors: 2 H acceptors: 4 LogP: 4.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)CNc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C
  • InChi: 1S/C20H18BrN5O/c1-13-17(11-14-5-3-2-4-6-14)18(27)26-20(23-13)24-19(25-26)22-12-15-7-9-16(21)10-8-15/h2-10,27H,11-12H2,1H3,(H,22,25)
  • InChiKey: KNNNFWCGAYVXDX-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
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.4536 0.4752 0.4752
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.8546 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0904 0 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0904 0 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.5223 0.5651 0.5651
Loa Loa (eye worm) hypothetical protein 0.2291 0.1814 0.1814
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0904 0 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0904 0 0.5
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.4536 0.4752 0.4752
Brugia malayi hypothetical protein 0.2932 0.2653 0.2653
Entamoeba histolytica prolyl oligopeptidase family protein 0.0904 0 0.5
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.4536 0.4752 0.4752
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.5223 0.5651 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.8546 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0904 0 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0904 0 0.5
Mycobacterium tuberculosis Probable peptidase 0.0904 0 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.8546 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0904 0 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.5223 0.5651 0.5651
Loa Loa (eye worm) prolyl oligopeptidase 0.8546 1 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.5223 0.5651 1
Loa Loa (eye worm) hypothetical protein 0.2932 0.2653 0.2653
Entamoeba histolytica prolyl oligopeptidase family protein 0.0904 0 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0904 0 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0904 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.5223 0.5651 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.5223 0.5651 0.5651
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0904 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0904 0 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.5223 0.5651 1
Brugia malayi prolyl oligopeptidase family protein 0.5223 0.5651 0.5651
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.3836 0.3837 1
Plasmodium falciparum peptidase, putative 0.0904 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0904 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0904 0 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.8546 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.5223 0.5651 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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