Detailed information for compound 1713268

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.237 | Formula: C12H19BrN8
  • H donors: 3 H acceptors: 1 LogP: -0.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=NNC1=NCCN1)c1cn(nc1C)C1=NCCN1.Br
  • InChi: 1S/C12H18N8.BrH/c1-8(17-18-11-13-3-4-14-11)10-7-20(19-9(10)2)12-15-5-6-16-12;/h7H,3-6H2,1-2H3,(H,15,16)(H2,13,14,18);1H
  • InChiKey: AYRLSVAWEZWFLT-UHFFFAOYSA-N  


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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 multilocularis cyclin dependent kinase 5 0.0097 0.2694 0.2694
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1091 0.1091
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0.2949 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0097 0.2694 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0177 0.0177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0177 0.0599
Echinococcus multilocularis cyclin dependent kinase 0.0097 0.2694 0.2694
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1091 0.37
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0177 0.0599
Plasmodium falciparum protein kinase 5 0.0097 0.2694 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0177 0.0177
Echinococcus multilocularis glycogen phosphorylase 0.0105 0.2949 0.2949
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1216 0.4125
Schistosoma mansoni hypothetical protein 0.0016 0.0177 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1091 0.1091
Brugia malayi Protein kinase domain containing protein 0.0097 0.2694 0.9137
Giardia lamblia Glycogen phosphorylase 0.0105 0.2949 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1091 0.1091
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0097 0.2694 0.5
Plasmodium vivax protein kinase Crk2 0.0097 0.2694 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.2694 0.2694
Brugia malayi cell division control protein 2 homolog 0.0097 0.2694 0.9137
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0045 0.1102 0.5
Echinococcus granulosus glycogen phosphorylase 0.0105 0.2949 0.2949
Echinococcus multilocularis Glycosyl transferase, family 35 0.0105 0.2949 0.2949
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.2949 1
Echinococcus granulosus Glycosyl transferase family 35 0.0105 0.2949 0.2949
Schistosoma mansoni hypothetical protein 0.0332 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.2949 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1091 0.37
Schistosoma mansoni hypothetical protein 0.0332 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.0177 0.0177
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0.2949 1
Echinococcus granulosus cyclin dependent kinase 0.0097 0.2694 0.2694
Echinococcus multilocularis geminin 0.0332 1 1
Brugia malayi carbohydrate phosphorylase 0.0105 0.2949 1
Schistosoma mansoni glycogen phosphorylase 0.0045 0.1102 0.1102
Echinococcus multilocularis cyclin dependent kinase 1 0.0097 0.2694 0.2694
Echinococcus multilocularis cyclin dependent kinase 1 0.0097 0.2694 0.2694
Trypanosoma cruzi cdc2-related kinase 3 0.0097 0.2694 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1091 0.1091
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1091 0.1091
Trypanosoma brucei cdc2-related kinase 3 0.0097 0.2694 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0735 0.2493
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.2694 0.2694
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0045 0.1102 0.5
Loa Loa (eye worm) glycogen phosphorylase 0.0105 0.2949 1
Trypanosoma cruzi cdc2-related kinase 1 0.0097 0.2694 0.5
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0097 0.2694 0.9137
Schistosoma mansoni glycogen phosphorylase 0.0105 0.2949 0.2949
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0735 0.2493
Entamoeba histolytica cell division protein kinase 2, putative 0.0097 0.2694 0.8622
Schistosoma mansoni hypothetical protein 0.0016 0.0177 0.0177
Onchocerca volvulus Glycogen phosphorylase homolog 0.0105 0.2949 1
Echinococcus granulosus cyclin dependent kinase 5 0.0097 0.2694 0.2694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1091 0.1091
Echinococcus granulosus glycogen phosphorylase 0.0105 0.2949 0.2949
Echinococcus granulosus cyclin dependent kinase 1 0.0097 0.2694 0.2694
Trypanosoma cruzi cdc2-related kinase 1 0.0097 0.2694 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.1216 0.4125
Echinococcus multilocularis glycogen phosphorylase 0.0105 0.2949 0.2949
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1216 0.4125
Trypanosoma brucei cdc2-related kinase 1 0.0097 0.2694 0.5
Chlamydia trachomatis glycogen phosphorylase 0.0105 0.2949 0.5
Trypanosoma cruzi cdc2-related kinase 3 0.0097 0.2694 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1216 0.4125
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0177 0.0599
Schistosoma mansoni hypothetical protein 0.0016 0.0177 0.0177
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0177 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1091 0.1091
Echinococcus granulosus GPCR family 2 0.0016 0.0177 0.0177
Echinococcus multilocularis GPCR, family 2 0.0016 0.0177 0.0177
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0097 0.2694 0.5
Entamoeba histolytica cell division protein kinase 2, putative 0.0097 0.2694 0.8622
Schistosoma mansoni glycogen phosphorylase 0.0105 0.2949 0.2949
Loa Loa (eye worm) hypothetical protein 0.0016 0.0177 0.0599
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0097 0.2694 0.9137
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0177 0.0177
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0097 0.2694 0.9137
Loa Loa (eye worm) hypothetical protein 0.0096 0.2662 0.9028
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0097 0.2694 0.2694
Schistosoma mansoni hypothetical protein 0.0033 0.0735 0.0735

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

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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