Detailed information for compound 1908777

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.692 | Formula: C12H9ClN6O
  • H donors: 3 H acceptors: 4 LogP: 1.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncnc2c1cn[nH]2)Nc1ccc(cc1)Cl
  • InChi: 1S/C12H9ClN6O/c13-7-1-3-8(4-2-7)17-12(20)18-10-9-5-16-19-11(9)15-6-14-10/h1-6H,(H3,14,15,16,17,18,19,20)
  • InChiKey: JAMXDZXYVNTUDX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 multilocularis puromycin sensitive aminopeptidase 0.0105 0.1954 0.1279
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0105 0.1954 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0105 0.1954 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0105 0.1954 0.1279
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0105 0.1954 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0105 0.1954 0.1279
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0087 0.1377 0.7045
Loa Loa (eye worm) hypothetical protein 0.0066 0.07 0.0059
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0105 0.1954 0.067
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0105 0.1954 0.1279
Brugia malayi Peptidase family M1 containing protein 0.0105 0.1954 0.067
Loa Loa (eye worm) hypothetical protein 0.0066 0.07 0.0059
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0105 0.1954 0.067
Loa Loa (eye worm) hypothetical protein 0.0087 0.1377 0.0888
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0105 0.1954 0.1279
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0105 0.1954 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0105 0.1954 0.5
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0068 0.0774 0.3962
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0105 0.1954 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.07 0.0059
Trypanosoma cruzi Aminopeptidase M1, putative 0.0105 0.1954 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.07 0.0059
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0105 0.1954 0.067
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0087 0.1377 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.07 0.0059
Toxoplasma gondii peptidase family M13 protein 0.0087 0.1377 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0289 0.7824 0.878
Echinococcus multilocularis aminopeptidase N 0.0357 1 1
Mycobacterium leprae probable zinc metalloprotease 0.0087 0.1377 0.5
Echinococcus multilocularis endothelin converting enzyme 1 0.0087 0.1377 0.0653
Trypanosoma cruzi aminopeptidase, putative 0.0105 0.1954 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0774 0.015
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0105 0.1954 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0105 0.1954 0.5
Brugia malayi hypothetical protein 0.0105 0.1954 0.067
Loa Loa (eye worm) hypothetical protein 0.0068 0.0774 0.015
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0105 0.1954 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1377 0.0888
Echinococcus granulosus aminopeptidase N 0.0357 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0105 0.1954 0.067
Onchocerca volvulus 0.0357 1 1
Loa Loa (eye worm) hypothetical protein 0.032 0.882 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.6644 0.7336
Mycobacterium ulcerans aminopeptidase N PepN 0.0105 0.1954 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0105 0.1954 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.1377 0.0888
Loa Loa (eye worm) aminopeptidase N 0.0105 0.1954 0.1595
Loa Loa (eye worm) hypothetical protein 0.0066 0.07 0.0059
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0105 0.1954 0.1279
Entamoeba histolytica aminopeptidase, putative 0.0105 0.1954 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 30 % Antiproliferative activity against mouse L1210 cells assessed as cell viability at 0.1 mM after 72 hrs by trypan blue dye based hemocytometer analysis relative to control ChEMBL. 1063272

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.