Detailed information for compound 1527858

Basic information

Technical information
  • TDR Targets ID: 1527858
  • Name: N-[1-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-meth ylpyrazol-4-yl]ethylideneamino]-4,5-dihydro-1 H-imidazol-2-amine hydrobromide
  • MW: 355.237 | Formula: C12H19BrN8
  • H donors: 3 H acceptors: 1 LogP: -0.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N/NC1=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/b17-8-;
  • InChiKey: AYRLSVAWEZWFLT-LIUCOPNQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-pyrazol-4-yl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine hydrobromide
  • N-[1-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-4-pyrazolyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine hydrobromide
  • 4,5-dihydro-1H-imidazol-2-yl-[1-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-pyrazol-4-yl]ethylideneamino]amine hydrobromide
  • NCGC00014924
  • NSC-607796

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

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active 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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