Detailed information for compound 1477944

Basic information

Technical information
  • TDR Targets ID: 1477944
  • Name: (6-methoxynaphthalen-2-yl)-[1-(pyridin-2-ylme thyl)piperidin-3-yl]methanone
  • MW: 360.449 | Formula: C23H24N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)Cc1ccccn1
  • InChi: 1S/C23H24N2O2/c1-27-22-10-9-17-13-19(8-7-18(17)14-22)23(26)20-5-4-12-25(15-20)16-21-6-2-3-11-24-21/h2-3,6-11,13-14,20H,4-5,12,15-16H2,1H3
  • InChiKey: ABNMRAPJUZZUAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6-methoxy-2-naphthyl)-[1-(2-pyridylmethyl)-3-piperidyl]methanone
  • (6-methoxy-2-naphthyl)-[1-(2-pyridylmethyl)-3-piperidinyl]methanone
  • (6-methoxy-2-naphthyl)[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
  • MLS000732542
  • SMR000315473

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Mycobacterium tuberculosis Conserved protein 0.0042 0.0272 0.0951
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0012
Trichomonas vaginalis esterase, putative 0.0042 0.0272 0.0458
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0272 0.2647
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0272 0.0481
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0272 0.0458
Brugia malayi beta-lactamase 0.0042 0.0272 0.0481
Echinococcus multilocularis neuropeptide s receptor 0.0449 0.4911 0.4911
Mycobacterium ulcerans lipase LipD 0.0042 0.0272 1
Toxoplasma gondii ABC1 family protein 0.0042 0.0272 1
Schistosoma mansoni hypothetical protein 0.0041 0.0261 0.0351
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0272 0.0951
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0138 0.1347
Trypanosoma brucei RNA helicase, putative 0.0109 0.1028 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0272 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0448 0.0603
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Brugia malayi hypothetical protein 0.002 0.0016 0.0028
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0539 0.0539
Brugia malayi Beta-glucuronidase precursor 0.0501 0.5497 0.9706
Loa Loa (eye worm) beta-lactamase 0.0042 0.0272 0.0481
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0448 0.0603
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0272 0.0951
Schistosoma mansoni hypothetical protein 0.019 0.1955 0.2631
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0138 0.5088
Brugia malayi hypothetical protein 0.003 0.0138 0.0245
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0539 0.0725
Loa Loa (eye worm) hypothetical protein 0.006 0.0477 0.0843
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0272 0.0951
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0272 0.0458
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0272 0.0458
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0009 0.0015
Mycobacterium leprae Probable lipase LipE 0.0042 0.0272 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0539 0.0951
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0272 0.0951
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0009 0.0015
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0272 0.0951
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0515 0.5663 1
Mycobacterium tuberculosis Conserved protein 0.0042 0.0272 0.0951
Brugia malayi MH2 domain containing protein 0.0144 0.1434 0.2532
Schistosoma mansoni hypothetical protein 0.0109 0.1028 0.1384
Mycobacterium ulcerans hypothetical protein 0.0042 0.0272 1
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.7431 0.7431
Echinococcus granulosus neuropeptide receptor A26 0.0449 0.4911 0.6609
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0477 0.0843
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0272 1
Leishmania major hypothetical protein, conserved 0.0042 0.0272 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0138 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0009 0.0012
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0272 0.0366
Loa Loa (eye worm) hypothetical protein 0.003 0.0138 0.0245
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0539 0.0539
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0058 0.0448 0.0791
Echinococcus multilocularis GPCR, family 2 0.0019 0.0009 0.0009
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0138 0.5088
Echinococcus granulosus microtubule associated protein 2 0.0671 0.7431 1
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0012
Brugia malayi mbt repeat family protein 0.0058 0.0448 0.0791
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0272 0.0366
Trichomonas vaginalis conserved hypothetical protein 0.0541 0.5948 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0477 0.0843
Brugia malayi manba-prov protein 0.0175 0.1789 0.3158
Onchocerca volvulus 0.0058 0.0448 1
Brugia malayi beta-lactamase family protein 0.0042 0.0272 0.0481
Loa Loa (eye worm) hypothetical protein 0.0042 0.0272 0.0481
Echinococcus granulosus neuropeptide s receptor 0.0449 0.4911 0.6609
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0138 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0272 0.0366
Loa Loa (eye worm) hypothetical protein 0.0042 0.0272 0.0481
Brugia malayi mbt repeat family protein 0.0058 0.0448 0.0791
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0539 0.0951
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1434 0.2532
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.7431 1
Trichomonas vaginalis beta-mannosidase, putative 0.0175 0.1789 0.3007
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0012
Echinococcus multilocularis neuropeptide receptor A26 0.0449 0.4911 0.4911
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0231 0.2419 0.3255
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0272 0.0481
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0009 0.0015
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0448 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0354 0.3822 0.5143
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0448 0.0603
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0477 0.0843
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0272 0.0951
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0448 0.0791
Loa Loa (eye worm) hypothetical protein 0.0041 0.0261 0.046
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0012
Echinococcus granulosus GPCR family 2 0.0019 0.0009 0.0012
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0272 1
Schistosoma mansoni beta-mannosidase 0.0175 0.1789 0.2407
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0272 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0231 0.2419 0.2419
Mycobacterium ulcerans beta-lactamase 0.0042 0.0272 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0138 0.5088
Brugia malayi beta-lactamase family protein 0.0042 0.0272 0.0481
Loa Loa (eye worm) hypothetical protein 0.0042 0.0272 0.0481
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0515 0.5663 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0272 0.0481
Entamoeba histolytica beta-galactosidase, putative 0.0365 0.3952 1
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0272 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0138 0.5088
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0539 0.0725
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.0015
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.2861 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0272 0.0272
Leishmania major hypothetical protein, conserved 0.003 0.0138 0.5088
Loa Loa (eye worm) beta-glucuronidase 0.0501 0.5497 0.9706
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0272 0.0458
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0448 0.0603
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0272 0.0458
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0272 0.0481
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0272 0.0951
Trichomonas vaginalis glycoside hydrolase, putative 0.0541 0.5948 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0539 0.0725
Mycobacterium tuberculosis Conserved protein 0.0042 0.0272 0.0951
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0009 0.0012
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0448 0.0448
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.0326 0.35 0.618
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0448 0.0603
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0261 0.046
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1434 0.2532
Loa Loa (eye worm) hypothetical protein 0.0042 0.0272 0.0481
Trichomonas vaginalis beta-galactosidase, putative 0.0541 0.5948 1
Loa Loa (eye worm) MBCTL1 0.0066 0.0539 0.0951

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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