Detailed information for compound 151324

Basic information

Technical information
  • TDR Targets ID: 151324
  • Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6- trimethylphenyl)pyridazin-3-amine
  • MW: 414.586 | Formula: C27H34N4
  • H donors: 1 H acceptors: 2 LogP: 5.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(c1)C)c1ccc(nn1)NCCC1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C27H34N4/c1-20-17-21(2)27(22(3)18-20)25-9-10-26(30-29-25)28-14-11-23-12-15-31(16-13-23)19-24-7-5-4-6-8-24/h4-10,17-18,23H,11-16,19H2,1-3H3,(H,28,30)
  • InChiKey: BHRSKWREJWGODQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1-benzyl-4-piperidyl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
  • N-[2-(1-benzyl-4-piperidinyl)ethyl]-6-(2,4,6-trimethylphenyl)-3-pyridazinamine
  • N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
  • 2-(1-benzyl-4-piperidyl)ethyl-(6-mesitylpyridazin-3-yl)amine
  • N-[2-[1-(phenylmethyl)-4-piperidyl]ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
  • N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-6-(2,4,6-trimethylphenyl)-3-pyridazinamine
  • 2-[1-(benzyl)-4-piperidyl]ethyl-[6-(2,4,6-trimethylphenyl)pyridazin-3-yl]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
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0248 0.1809 0.1577
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.1096 1 1
Leishmania major farnesyl pyrophosphate synthase 0.0898 0.8087 0.8032
Schistosoma mansoni glutathione synthetase 0.0248 0.1809 0.1964
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0898 0.8087 0.5
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.1096 1 1
Onchocerca volvulus 0.009 0.0275 0.5
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0338 0.2675 0.3072
Loa Loa (eye worm) hexokinase 0.009 0.0275 0.0341
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0898 0.8087 0.8032
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0898 0.8087 1
Brugia malayi Polyprenyl synthetase family protein 0.0248 0.1809 0.1964
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0248 0.1809 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0898 0.8087 0.8032
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0338 0.2675 0.3308
Loa Loa (eye worm) polyprenyl synthetase 0.0898 0.8087 1
Leishmania major polyprenyl synthase, putative 0.0338 0.2675 0.2468
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0898 0.8087 1
Loa Loa (eye worm) polyprenyl synthetase 0.0248 0.1809 0.2237
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0898 0.8087 0.5
Onchocerca volvulus 0.009 0.0275 0.5
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0248 0.1809 0.1577
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0248 0.1809 0.1964
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0898 0.8087 1
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.1096 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0898 0.8087 1
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0248 0.1809 0.1577
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0248 0.1809 0.1577
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0248 0.1809 1
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.1096 1 1
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.1096 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0248 0.1809 0.1964
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.1096 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0248 0.1809 0.5
Trypanosoma cruzi polyprenyl synthase, putative 0.0338 0.2675 0.2468
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0248 0.1809 0.1577
Brugia malayi Polyprenyl synthetase family protein 0.0898 0.8087 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0338 0.2675 0.3072
Onchocerca volvulus 0.009 0.0275 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0898 0.8087 0.8032
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.1096 1 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0248 0.1809 0.5
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0248 0.1809 0.1577
Loa Loa (eye worm) hexokinase 0.009 0.0275 0.0341
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0248 0.1809 0.1964
Leishmania major solanesyl-diphosphate synthase, putative 0.0248 0.1809 0.1577
Schistosoma mansoni trans-prenyltransferase 0.0248 0.1809 0.1964
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0898 0.8087 1
Giardia lamblia Farnesyl diphosphate synthase 0.0898 0.8087 0.5
Loa Loa (eye worm) hexokinase type II 0.009 0.0275 0.0341
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0248 0.1809 1
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0248 0.1809 0.1577
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0898 0.8087 0.8032
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0338 0.2675 0.3072
Trypanosoma cruzi polyprenyl synthase, putative 0.0338 0.2675 0.2468
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0898 0.8087 0.8032
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0248 0.1809 0.1964
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0248 0.1809 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0898 0.8087 0.8032
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.1096 1 1
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.1096 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0898 0.8087 0.5
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0248 0.1809 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0898 0.8087 1
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0338 0.2675 0.3072
Treponema pallidum octaprenyl-diphosphate synthase 0.0338 0.2675 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3000 nM In vitro inhibition of electric eel acetylcholinesterase ChEMBL. 11495583

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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