Detailed information for compound 1456031

Basic information

Technical information
  • TDR Targets ID: 1456031
  • Name: (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-y lmethyl)piperazine
  • MW: 296.45 | Formula: C20H28N2
  • H donors: 1 H acceptors: 0 LogP: 4.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN1CCNC[C@H]1Cc1cccc2c1cccc2)(C)C
  • InChi: 1S/C20H28N2/c1-20(2,3)15-22-12-11-21-14-18(22)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18,21H,11-15H2,1-3H3/t18-/m1/s1
  • InChiKey: FSVMCDLIEBONRV-GOSISDBHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-1-(2,2-dimethylpropyl)-2-(1-naphthylmethyl)piperazine
  • (2R)-2-(1-naphthylmethyl)-1-neopentyl-piperazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 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 jun protein 0.0358 0.3281 0.3281
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2408 0.5
Echinococcus granulosus jun protein 0.0358 0.3281 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0054 0.0169
Schistosoma mansoni jun-related protein 0.0291 0.2555 1
Echinococcus multilocularis transfer RNA-Lys 0.0074 0.0205 0.0205
Mycobacterium ulcerans putative regulatory protein 0.0074 0.0205 0.5
Schistosoma mansoni hypothetical protein 0.0291 0.2555 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0054 0.0169
Brugia malayi hypothetical protein 0.0281 0.2448 0.7461
Brugia malayi hypothetical protein 0.0336 0.3043 0.9273
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0054 0.0164
Loa Loa (eye worm) hypoxia-induced factor 1 0.031 0.2761 0.8695
Echinococcus granulosus single minded 2 0.0074 0.0205 0.0626
Brugia malayi PAS domain containing protein 0.01 0.0487 0.1485
Brugia malayi bHLH-PAS transcription factor 0.0074 0.0205 0.0626
Echinococcus granulosus geminin 0.0205 0.1617 0.4927
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0358 0.3281 1
Schistosoma mansoni hypothetical protein 0.0205 0.1617 0.6329
Loa Loa (eye worm) hypothetical protein 0.0349 0.3175 1
Loa Loa (eye worm) hypothetical protein 0.0336 0.3043 0.9584
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0054 0.0164
Schistosoma mansoni hypothetical protein 0.0205 0.1617 0.6329
Schistosoma mansoni single-minded 0.01 0.0487 0.1908
Brugia malayi hypoxia-induced factor 1 0.031 0.2761 0.8414
Echinococcus multilocularis geminin 0.0205 0.1617 0.1617
Onchocerca volvulus 0.0281 0.2448 1
Brugia malayi bZIP transcription factor family protein 0.0358 0.3281 1
Schistosoma mansoni aryl hydrocarbon receptor 0.01 0.0487 0.1908
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0358 0.3281 0.3281

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 0.1259 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No 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) = 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.