Detailed information for compound 151109

Basic information

Technical information
  • TDR Targets ID: 151109
  • Name: 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenyl pyridazine
  • MW: 373.491 | Formula: C24H27N3O
  • H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CN1CCC(CC1)CCOc1ccc(nn1)c1ccccc1
  • InChi: 1S/C24H27N3O/c1-3-7-21(8-4-1)19-27-16-13-20(14-17-27)15-18-28-24-12-11-23(25-26-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2
  • InChiKey: VZIIROIDZAERNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-(1-benzyl-4-piperidyl)ethoxy]-6-phenyl-pyridazine
  • 3-[2-(1-benzyl-4-piperidinyl)ethoxy]-6-phenylpyridazine
  • 3-phenyl-6-[2-[1-(phenylmethyl)piperidin-4-yl]ethoxy]pyridazine
  • 3-phenyl-6-[2-[1-(phenylmethyl)-4-piperidyl]ethoxy]pyridazine
  • 3-phenyl-6-[2-[1-(phenylmethyl)-4-piperidinyl]ethoxy]pyridazine
  • 3-[2-[1-(benzyl)-4-piperidyl]ethoxy]-6-phenyl-pyridazine

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 granulosus histone lysine methyltransferase setb 0.003 0.006 0.0259
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Echinococcus granulosus jumonji domain containing protein 0.004 0.0179 0.0779
Plasmodium falciparum lysophospholipase, putative 0.0919 1 1
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0054 0.0333 0.1306
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.006 0.0259
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0028 0.0037 0.0037
Brugia malayi MGC83647 protein 0.0054 0.0333 0.1306
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0054 0.0333 0.3858
Brugia malayi amidase 0.023 0.2299 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0791 0.3441
Toxoplasma gondii protein c14orf29, putative 0.0054 0.0333 1
Plasmodium falciparum BEM46-like protein, putative 0.0054 0.0333 0.0296
Echinococcus granulosus fatty acid amide hydrolase 1 0.023 0.2299 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0054 0.0333 0.0296
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0028 0.0037 0.0037
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0052 0.0226
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0054 0.0333 0.0296
Plasmodium falciparum lysophospholipase, putative 0.0919 1 1
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0333 0.0296
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.012 0.0367
Echinococcus multilocularis abhydrolase domain containing 3 0.0054 0.0333 0.1447
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0333 0.0296
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0054 0.0333 0.0333
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Echinococcus granulosus fatty acid amide hydrolase 1 0.0028 0.0037 0.0162
Loa Loa (eye worm) hypothetical protein 0.0054 0.0333 0.1306
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0919 1 1
Mycobacterium ulcerans hypothetical protein 0.0919 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Plasmodium vivax PST-A protein 0.0054 0.0333 0.0296
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Toxoplasma gondii hypothetical protein 0.0054 0.0333 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.023 0.2299 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.0099
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0054 0.0333 0.0333
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0028 0.0037 0.0037
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.012 0.0523
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Onchocerca volvulus 0.003 0.006 0.0034
Brugia malayi jmjC domain containing protein 0.0095 0.0791 0.3333
Plasmodium vivax unspecified product 0.0054 0.0333 0.0296
Mycobacterium ulcerans amidase 0.0028 0.0037 0.0037
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0052 0.0226
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0054 0.0333 0.1306
Toxoplasma gondii phospholipase/carboxylesterase 0.0054 0.0333 1
Mycobacterium ulcerans amidase 0.0028 0.0037 0.0037
Plasmodium falciparum phd finger protein, putative 0.0029 0.0052 0.0015
Loa Loa (eye worm) hypothetical protein 0.003 0.006 0.0099
Plasmodium vivax alpha/beta hydrolase, putative 0.0054 0.0333 0.0296
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0028 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0054 0.0333 0.1306
Plasmodium falciparum alpha/beta hydrolase, putative 0.0054 0.0333 0.0296
Brugia malayi Pre-SET motif family protein 0.0208 0.2046 0.8882
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0054 0.0333 0.0333
Plasmodium vivax PST-A protein 0.0054 0.0333 0.0296
Mycobacterium ulcerans lysophospholipase 0.0919 1 1
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0054 0.0333 0.0296
Plasmodium falciparum esterase, putative 0.0054 0.0333 0.0296
Echinococcus granulosus peregrin 0.0029 0.0052 0.0226
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0919 1 1
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0054 0.0333 0.0333
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0047 0.0206
Echinococcus granulosus abhydrolase domain containing protein 13 0.0054 0.0333 0.1447
Plasmodium falciparum exported lipase 1 0.0054 0.0333 0.0296
Plasmodium vivax PST-A protein 0.0919 1 1
Plasmodium vivax PST-A protein 0.0054 0.0333 0.0296
Mycobacterium ulcerans amidase 0.0028 0.0037 0.0037
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Trypanosoma cruzi amidase, putative 0.0028 0.0037 0.0037
Leishmania major monoglyceride lipase, putative 0.0919 1 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0919 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0054 0.0333 0.0296
Onchocerca volvulus 0.0236 0.2366 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0333 0.1306
Brugia malayi Protein C20orf22 0.0054 0.0333 0.1306
Leishmania major hypothetical protein, conserved 0.0212 0.2097 0.2097
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0028 0.0037 0.0037
Plasmodium vivax PST-A protein 0.0054 0.0333 0.0296
Plasmodium falciparum esterase, putative 0.0054 0.0333 0.0296
Toxoplasma gondii phospholipase 0.0054 0.0333 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Plasmodium vivax lysophospholipase, putative 0.0054 0.0333 0.0296
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0054 0.0333 0.0333
Trypanosoma brucei monoglyceride lipase, putative 0.0919 1 1
Mycobacterium ulcerans amidase 0.0028 0.0037 0.0037
Plasmodium falciparum exported lipase 2 0.0054 0.0333 0.0296
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0779 0.0779
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0054 0.0333 0.0333
Echinococcus multilocularis fatty acid amide hydrolase 1 0.023 0.2299 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0052 0.0065
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0054 0.0333 0.0296
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.0099
Leishmania major hypothetical protein, conserved 0.0028 0.0037 0.0037
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0028 0.0037 0.0162
Trypanosoma cruzi serine peptidase, putative 0.0054 0.0333 0.0333
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0054 0.0333 0.0333
Brugia malayi PHD-finger family protein 0.0029 0.0052 0.0065
Plasmodium falciparum esterase, putative 0.0919 1 1
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0054 0.0333 0.1447
Loa Loa (eye worm) hypothetical protein 0.0054 0.0333 0.1306
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0037 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.006 0.0099
Trichomonas vaginalis conserved hypothetical protein 0.0919 1 1
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0054 0.0333 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0779 0.0462
Plasmodium falciparum lysophospholipase, putative 0.0054 0.0333 0.0296
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0791 0.3441
Schistosoma mansoni fatty-acid amide hydrolase 0.023 0.2299 1
Schistosoma mansoni kinase 0.0048 0.0262 0.0994
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0248 0.0248
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0054 0.0333 0.0333
Echinococcus granulosus fatty acid amide hydrolase 1 0.023 0.2299 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.006 0.0259
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0054 0.0333 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0028 0.0037 0.0162
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0919 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0054 0.0333 0.1447
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0052 0.0065
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.2097 0.2097
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0779 0.3391
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0037 0.5
Trypanosoma cruzi amidase, putative 0.0028 0.0037 0.0037
Trypanosoma brucei monoglyceride lipase, putative 0.0919 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0212 0.2097 0.2068
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0919 1 1
Leishmania major hypothetical protein, conserved 0.0054 0.0333 0.0333
Trypanosoma brucei polo-like protein kinase 0.0094 0.0779 0.0745
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0054 0.0333 0.0333
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0054 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0054 0.0333 0.1306
Schistosoma mansoni peptidase 0.0054 0.0333 0.1306
Plasmodium falciparum alpha/beta hydrolase, putative 0.0054 0.0333 0.0296
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0179 0.0779
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0398 0.1594
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0054 0.0333 0.0333
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0054 0.0333 0.0333
Mycobacterium ulcerans peptide amidase, GatA 0.0028 0.0037 0.0037
Giardia lamblia Kinase, PLK 0.0094 0.0779 1
Plasmodium vivax lysophospholipase, putative 0.0054 0.0333 0.0296
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0779 0.3282
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0919 1 1
Schistosoma mansoni amidase 0.023 0.2299 1
Plasmodium vivax PST-A protein 0.0054 0.0333 0.0296
Plasmodium falciparum lysophospholipase, putative 0.0054 0.0333 0.0296
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0052 0.0015
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0054 0.0333 0.0333
Mycobacterium ulcerans amidase 0.0028 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.023 0.2299 1
Brugia malayi jmjC domain containing protein 0.0035 0.012 0.0367
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.012 0.0367
Toxoplasma gondii hypothetical protein 0.0054 0.0333 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0054 0.0333 0.0333
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0054 0.0333 0.0333
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.2097 0.2097
Trichomonas vaginalis conserved hypothetical protein 0.0919 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0779 0.0779
Echinococcus granulosus abhydrolase domain containing 3 0.0054 0.0333 0.1447
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0333 0.0296
Toxoplasma gondii hypothetical protein 0.0054 0.0333 1
Echinococcus multilocularis peregrin 0.0029 0.0052 0.0226
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0028 0.0037 0.0037
Echinococcus granulosus Phospholipase carboxylesterase 0.0054 0.0333 0.1447
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Plasmodium vivax unspecified product 0.0054 0.0333 0.0296
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2046 0.8882
Plasmodium falciparum prodrug activation and resistance esterase 0.0054 0.0333 0.0296
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2366 0.2366
Mycobacterium tuberculosis Possible lysophospholipase 0.0919 1 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0054 0.0333 0.0296
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0779 0.3391
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0779 0.3282
Mycobacterium ulcerans hydrolase 0.0054 0.0333 0.0333
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0919 1 1
Chlamydia trachomatis hydrolase 0.0054 0.0333 1
Schistosoma mansoni hypothetical protein 0.0029 0.0052 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0333 0.0333
Leishmania major hypothetical protein, conserved 0.0054 0.0333 0.0333
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0779 0.3282
Toxoplasma gondii peptidase S15, putative 0.0054 0.0333 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.006 0.0099
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0919 1 1
Plasmodium vivax SET domain protein, putative 0.003 0.006 0.0022
Chlamydia trachomatis acyltransferase family protein 0.0054 0.0333 1
Plasmodium vivax alpha/beta hydrolase, putative 0.0054 0.0333 0.0296
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.012 0.0367
Brugia malayi Pre-SET motif family protein 0.003 0.006 0.0099
Plasmodium falciparum lysophospholipase, putative 0.0919 1 1
Trypanosoma cruzi serine peptidase, putative 0.0054 0.0333 0.0333
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0054 0.0333 1
Plasmodium vivax lysophospholipase, putative 0.0054 0.0333 0.0296
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.006 0.0277
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0779 0.3144
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0779 0.0779
Brugia malayi Bromodomain containing protein 0.0029 0.0052 0.0065
Mycobacterium tuberculosis Conserved hypothetical protein 0.0054 0.0333 0.0333
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0919 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0779 0.0779
Mycobacterium ulcerans hypothetical protein 0.0054 0.0333 0.0333
Toxoplasma gondii hypothetical protein 0.0054 0.0333 1
Plasmodium falciparum epoxide hydrolase 2 0.0054 0.0333 0.0296
Echinococcus multilocularis Phospholipase carboxylesterase 0.0054 0.0333 0.1447
Plasmodium falciparum alpha/beta hydrolase, putative 0.0054 0.0333 0.0296
Brugia malayi MGC79044 protein 0.0054 0.0333 0.1306
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0572 0.2366
Mycobacterium ulcerans hypothetical protein 0.0054 0.0333 0.0333
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.012 0.0523
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0029 0.0052 0.0065
Loa Loa (eye worm) hypothetical protein 0.005 0.0284 0.1091
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0028 0.0037 0.0162
Plasmodium falciparum alpha/beta hydrolase, putative 0.0054 0.0333 0.0296

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 710 nM In vitro inhibition of acetylcholinesterase from human erythrocytes ChEMBL. 11495583
IC50 (binding) = 1600 nM Inhibition of butrylcholinesterase from human serum ChEMBL. 11495583
IC50 (binding) = 140 uM In vitro inhibition of electric eel acetylcholinesterase ChEMBL. 11495583
IC50 ratio (binding) = 2.2 IC50 (hBuChE/hAChE) ratio of the compound 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.
 
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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