Detailed information for compound 1414454

Basic information

Technical information
  • TDR Targets ID: 1414454
  • Name: N-[(1-dimethylaminocyclohexyl)methyl]butanami de
  • MW: 226.358 | Formula: C13H26N2O
  • H donors: 1 H acceptors: 1 LogP: 2.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)NCC1(CCCCC1)N(C)C
  • InChi: 1S/C13H26N2O/c1-4-8-12(16)14-11-13(15(2)3)9-6-5-7-10-13/h4-11H2,1-3H3,(H,14,16)
  • InChiKey: PSBPGGVIXFPVCK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(1-dimethylaminocyclohexyl)methyl]butyramide
  • D335-0334
  • NCGC00118785-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723

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
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0489 1 0.5
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0412 0.8374 1
Brugia malayi intermediate filament protein 0.0033 0.0321 0.0321
Loa Loa (eye worm) hypothetical protein 0.0032 0.0308 0.0308
Onchocerca volvulus 0.0033 0.0321 0.5
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0412 0.8374 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0489 1 0.5
Onchocerca volvulus 0.0033 0.0321 0.5
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0489 1 1
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0489 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0321 0.0321
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0321 0.0321
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0321 0.0321
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0489 1 1
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0489 1 0.5
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0489 1 0.5
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0489 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0321 0.0321
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0489 1 1
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0489 1 1
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0412 0.8374 0.5
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0148 0.2774 0.2132
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0412 0.8374 1
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0489 1 0.5
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0489 1 0.5
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0412 0.8374 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 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) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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