Detailed information for compound 22965

Basic information

Technical information
  • TDR Targets ID: 22965
  • Name: N-(2,6-dibromophenyl)-N-ethyl-4,5-dihydro-1H- imidazol-2-amine
  • MW: 347.049 | Formula: C11H13Br2N3
  • H donors: 1 H acceptors: 0 LogP: 2.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1c(Br)cccc1Br)C1=NCCN1
  • InChi: 1S/C11H13Br2N3/c1-2-16(11-14-6-7-15-11)10-8(12)4-3-5-9(10)13/h3-5H,2,6-7H2,1H3,(H,14,15)
  • InChiKey: GQKKOCGGEHLNGJ-UHFFFAOYSA-N  

Network

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Synonyms

  • (2,6-dibromophenyl)-ethyl-(2-imidazolin-2-yl)amine
  • (2,6-dibromophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-ethyl-amine

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
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0604 0.2478 0.2456
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0604 0.2478 0.2551
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0578 0.236 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1855 0.8207 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0113 0.0228 0.0199
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1183 0.5127 0.4313
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1855 0.8207 0.5
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1855 0.8207 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1855 0.8207 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1251 0.544 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1855 0.8207 0.8202
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1855 0.8207 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0182 0.0546 0.0632
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1183 0.5127 0.6234
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2247 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1855 0.8207 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0604 0.2478 0.2456
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1855 0.8207 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1855 0.8207 0.8202
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1183 0.5127 0.9364
Loa Loa (eye worm) hypothetical protein 0.1183 0.5127 0.9364
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1855 0.8207 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2247 1 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1855 0.8207 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 0.8202
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1855 0.8207 0.8202
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.1251 0.544 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1855 0.8207 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1855 0.8207 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0578 0.236 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1855 0.8207 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0604 0.2478 0.2456
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1183 0.5127 0.4313
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1855 0.8207 0.8202
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0673 0.2791 0.2958
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0604 0.2478 0.2456
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1855 0.8207 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1855 0.8207 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1855 0.8207 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 0.8202
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1183 0.5127 0.6234
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0604 0.2478 0.2456
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0182 0.0546 0.0632
Leishmania major acetyl-CoA carboxylase, putative 0.0182 0.0546 0.0518
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1855 0.8207 0.8202
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1855 0.8207 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0182 0.0546 0.0632
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.1855 0.8207 0.8202
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1855 0.8207 0.8202
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1855 0.8207 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1855 0.8207 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 0.8202
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1855 0.8207 0.5
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1855 0.8207 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.1855 0.8207 0.8202
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1183 0.5127 0.9364
Trypanosoma brucei acetyl-CoA carboxylase 0.0182 0.0546 0.0518
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0182 0.0546 0.0632
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1855 0.8207 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0182 0.0546 0.0632
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.2247 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1855 0.8207 0.8202

Activities

Activity type Activity value Assay description Source Reference
D150 (functional) = 0.75 mg kg-1 Dose required to decrease heart rate after iv injection to spinal rats ChEMBL. 7452671
logD (ADMET) = -1.01 Partition coefficient (logD7.4) ChEMBL. 7452671
pKa = 11.1 Dissociation constant (pKa) ChEMBL. 7452671
Relative activity (functional) = 0.83 Evaluated for decreased heart rate in spinal rats, relative activity was determined ChEMBL. 7452671

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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