Detailed information for compound 1349190

Basic information

Technical information
  • TDR Targets ID: 1349190
  • Name: N,N-dimethyl-4-[3-(naphthalene-1-carbonyl)pip eridine-1-carbonyl]piperidine-1-carboxamide
  • MW: 421.532 | Formula: C25H31N3O3
  • H donors: 0 H acceptors: 3 LogP: 2.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC(C1)C(=O)c1cccc2c1cccc2)C1CCN(CC1)C(=O)N(C)C
  • InChi: 1S/C25H31N3O3/c1-26(2)25(31)27-15-12-19(13-16-27)24(30)28-14-6-9-20(17-28)23(29)22-11-5-8-18-7-3-4-10-21(18)22/h3-5,7-8,10-11,19-20H,6,9,12-17H2,1-2H3
  • InChiKey: VVKYEOQFDTVCTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-4-[[3-(1-naphthyl-oxomethyl)-1-piperidinyl]-oxomethyl]-1-piperidinecarboxamide
  • N,N-dimethyl-4-(3-naphthalen-1-ylcarbonylpiperidin-1-yl)carbonyl-piperidine-1-carboxamide
  • MLS000734504
  • N,N-dimethyl-4-{[3-(1-naphthoyl)piperidin-1-yl]carbonyl}piperidine-1-carboxamide
  • SMR000315270

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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 multilocularis guanine nucleotide binding protein G(s) subunit 0.005 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0019 0 0.5
Onchocerca volvulus 0.0019 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.7906 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.7906 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.7906 0.7906
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.7906 0.5
Brugia malayi hypothetical protein 0.0043 0.7906 0.7906
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.7906 0.7906
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0019 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.7906 0.7906
Entamoeba histolytica hypothetical protein 0.0043 0.7906 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.7906 0.7906
Onchocerca volvulus Protein ultraspiracle homolog 0.0019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 11.5821 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 14.7157 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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