Detailed information for compound 448121

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 184.646 | Formula: C8H11ClN3-
  • H donors: 2 H acceptors: 0 LogP: 0.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1ccc(cc1)C(=N)N.[Cl-]
  • InChi: 1S/C8H11N3.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5,9H2,(H3,10,11);1H/p-1
  • InChiKey: JEKAWKHWQNOMME-UHFFFAOYSA-M  


Substructure search Similarity search

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 phosphatidylinositol 3-and 4-kinase 0.0052 0.1652 0.0438
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4222 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.4945 0.4901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0156 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0052 0.1652 0.0438
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0156 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.4945 0.4901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.1652 0.1579
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0052 0.1652 0.0438
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0074 0.338 0.207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.1652 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.743 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4212 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.5865 0.5829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.1652 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.5594 0.5555
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0156 1 1
Giardia lamblia GTOR 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4222 0.4171
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0124 0.7441 0.6934
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.1652 0.0438
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4212 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.743 0.7408
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0065 0.2657 0.1204
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0093 0.4945 0.4901
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0124 0.7441 0.6934
Trypanosoma cruzi target of rapamycin kinase 3 0.0124 0.7441 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4222 0.4171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.081 0.0729
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.4871 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4222 0.4171
Loa Loa (eye worm) phosphatidylinositol 3 0.0052 0.1652 0.1652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.6782 0.6753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.4212 0.4161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.1652 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.743 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.4871 0.4826
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0156 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0156 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0116 0.6782 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0133 0.8164 0.8147
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0156 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0156 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.127 0.127
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0156 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.1652 0.1579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.743 0.7408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.743 0.7408
Loa Loa (eye worm) hypothetical protein 0.0033 0.0087 0.0087

Activities

Activity type Activity value Assay description Source Reference
EC (binding) > 1000 nM Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells ChEMBL. 17958344

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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