Detailed information for compound 1525119

Basic information

Technical information
  • TDR Targets ID: 1525119
  • Name: N-(2-methoxyphenyl)-2-[methyl-[2-(naphthalen- 1-ylamino)-2-oxoethyl]amino]propanamide hydro chloride
  • MW: 427.924 | Formula: C23H26ClN3O3
  • H donors: 2 H acceptors: 2 LogP: 4.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)C(N(CC(=O)Nc1cccc2c1cccc2)C)C.Cl
  • InChi: 1S/C23H25N3O3.ClH/c1-16(23(28)25-20-12-6-7-14-21(20)29-3)26(2)15-22(27)24-19-13-8-10-17-9-4-5-11-18(17)19;/h4-14,16H,15H2,1-3H3,(H,24,27)(H,25,28);1H
  • InChiKey: NWPJMFKPZKTJMJ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-methoxyphenyl)-2-[methyl-[2-(1-naphthylamino)-2-oxo-ethyl]amino]propanamide hydrochloride
  • N-(2-methoxyphenyl)-2-[methyl-[2-(1-naphthylamino)-2-oxoethyl]amino]propanamide hydrochloride
  • 2-[[2-keto-2-(1-naphthylamino)ethyl]-methyl-amino]-N-(2-methoxyphenyl)propionamide hydrochloride
  • N-(2-methoxyphenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxo-ethyl]amino]propanamide hydrochloride
  • T5351409

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 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
Brugia malayi hypothetical protein 0.0073 0.0081 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Onchocerca volvulus 0.0073 0.0081 0.5
Echinococcus multilocularis nucleic acid binding 0.0073 0.0081 0.5
Leishmania major hypothetical protein, conserved 0.0073 0.0081 1
Leishmania major hypothetical protein, conserved 0.0073 0.0081 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi ALKBH protein 0.0073 0.0081 1
Onchocerca volvulus 0.0073 0.0081 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Echinococcus granulosus nucleic acid binding 0.0073 0.0081 0.5
Onchocerca volvulus Alkylated DNA repair protein alkB homolog 0.0073 0.0081 0.5
Loa Loa (eye worm) ALKBH protein 0.0073 0.0081 1
Leishmania major hypothetical protein, conserved 0.0073 0.0081 1
Toxoplasma gondii hypothetical protein 0.0073 0.0081 1
Echinococcus multilocularis conserved hypothetical protein 0.0073 0.0081 0.5
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Schistosoma mansoni nucleic acid binding 0.0073 0.0081 0.5
Trypanosoma brucei Alkylated DNA repair protein (alkB homolog), putative 0.0073 0.0081 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.5297 1 0.5
Mycobacterium ulcerans hypothetical protein 0.5297 1 0.5
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Echinococcus granulosus alkylated DNA repair protein alkB 0.0073 0.0081 0.5
Trypanosoma cruzi alkylated DNA repair protein, putative 0.0073 0.0081 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Schistosoma mansoni hypothetical protein 0.0073 0.0081 0.5
Brugia malayi spermatogenesis associated 11 0.0073 0.0081 1
Loa Loa (eye worm) spermatogenesis associated 11 0.0073 0.0081 1
Schistosoma mansoni nucleic acid binding 0.0073 0.0081 0.5
Leishmania major hypothetical protein, conserved 0.0073 0.0081 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0073 0.0081 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0081 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0081 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 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) 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

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

No literature references available for this target.

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