Detailed information for compound 318685

Basic information

Technical information
  • TDR Targets ID: 318685
  • Name: N-[2-(3-chloropiperidin-1-yl)ethyl]-3-methoxy -5-methylnaphthalene-1-carboxamide
  • MW: 360.878 | Formula: C20H25ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 3.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C(=O)NCCN2CCCC(C2)Cl)c2c(c1)c(C)ccc2
  • InChi: 1S/C20H25ClN2O2/c1-14-5-3-7-17-18(14)11-16(25-2)12-19(17)20(24)22-8-10-23-9-4-6-15(21)13-23/h3,5,7,11-12,15H,4,6,8-10,13H2,1-2H3,(H,22,24)
  • InChiKey: YZTOPBYLRHKKNB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3-chloro-1-piperidyl)ethyl]-3-methoxy-5-methyl-naphthalene-1-carboxamide
  • N-[2-(3-chloro-1-piperidinyl)ethyl]-3-methoxy-5-methyl-1-naphthalenecarboxamide
  • N-[2-(3-chloropiperidin-1-yl)ethyl]-3-methoxy-5-methyl-naphthalene-1-carboxamide
  • N-[2-(3-chloropiperidino)ethyl]-3-methoxy-5-methyl-1-naphthamide
  • N-[2-(3-chloro-1-piperidyl)ethyl]-3-methoxy-5-methyl-1-naphthamide

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 multidrug resistance associated protein 1 0.0024 0.0429 1
Schistosoma mansoni multidrug resistance protein 0.0024 0.0429 0.5
Brugia malayi ABC transporter transmembrane region family protein 0.0024 0.0429 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.026 1 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0024 0.0429 1
Schistosoma mansoni multidrug resistance protein 0.0024 0.0429 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0024 0.0429 0.5
Loa Loa (eye worm) multidrug resistance-associated protein 0.0019 0.0212 0.0212
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0024 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.026 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0024 0.0429 1
Trypanosoma brucei p-glycoprotein 0.0024 0.0429 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0024 0.0429 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0024 0.0429 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0024 0.0429 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0024 0.0429 0.0429
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0024 0.0429 1
Trypanosoma cruzi hypothetical protein 0.0018 0.0204 0.4755
Echinococcus multilocularis multidrug resistance associated protein 7 0.0024 0.0429 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0024 0.0429 1
Schistosoma mansoni multidrug resistance protein 0.0024 0.0429 0.5
Leishmania major ABC-thiol transporter 0.0024 0.0429 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0024 0.0429 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0024 0.0429 0.5
Giardia lamblia MRP-like ABC transporter 0.0024 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.026 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0024 0.0429 0.5
Toxoplasma gondii hypothetical protein 0.026 1 1
Entamoeba histolytica ABC transporter, putative 0.0024 0.0429 0.5
Leishmania major pentamidine resistance protein 1 0.0024 0.0429 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0024 0.0429 1
Giardia lamblia ABC transporter, putative 0.0024 0.0429 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0024 0.0429 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0024 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0429 0.0429
Trypanosoma brucei multidrug resistance protein E 0.0024 0.0429 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0024 0.0429 0.5
Leishmania major p-glycoprotein e 0.0024 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0421 0.0421
Schistosoma mansoni multidrug resistance protein 0.0024 0.0429 0.5
Entamoeba histolytica hypothetical protein 0.0024 0.0429 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0024 0.0429 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0024 0.0429 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0429 0.0429
Brugia malayi multidrug resistance related protein 1 0.0024 0.0429 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 nM Inhibitory concentration of the compound measured against the prostate cancer cell line DU145; IA:Inactive ChEMBL. 15664831

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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