Detailed information for compound 1858545

Basic information

Technical information
  • TDR Targets ID: 1858545
  • Name: (Z)-[4-(1-naphthylmethyl)piperazin-1-yl]-[1-( 3-pyridyl)ethylidene]amine
  • MW: 344.453 | Formula: C22H24N4
  • H donors: 0 H acceptors: 1 LogP: 3.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=N/N1CCN(CC1)Cc1cccc2c1cccc2)/c1cccnc1
  • InChi: 1S/C22H24N4/c1-18(20-9-5-11-23-16-20)24-26-14-12-25(13-15-26)17-21-8-4-7-19-6-2-3-10-22(19)21/h2-11,16H,12-15,17H2,1H3/b24-18-
  • InChiKey: LNPOBRXJZYGQMS-MOHJPFBDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK3S-22013

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4201 1
Mycobacterium ulcerans peptide deformylase 0.1923 1 0.5
Onchocerca volvulus 0.0114 0.0373 0.5
Treponema pallidum polypeptide deformylase (def) 0.1923 1 0.5
Trypanosoma brucei Peptide deformylase 2 0.0734 0.3672 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0814 1
Plasmodium vivax peptide deformylase, putative 0.1923 1 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0814 0.1939
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0535 0.6566
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1923 1 0.5
Toxoplasma gondii hypothetical protein 0.1923 1 1
Leishmania major polypeptide deformylase-like protein, putative 0.0734 0.3672 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4201 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1923 1 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4201 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0535 0.6566
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0814 0.1939
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0734 0.3672 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.0734 0.3672 1
Brugia malayi MH2 domain containing protein 0.0144 0.0535 0.6566
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0814 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1923 1 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Plasmodium falciparum peptide deformylase 0.1923 1 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.0669 0.1592
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0814 0.1939
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0734 0.3672 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0734 0.3672 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0669 0.1592
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0734 0.3672 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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