Detailed information for compound 267002

Basic information

Technical information
  • TDR Targets ID: 267002
  • Name: N-[2-(diethylamino)-2-naphthalen-1-ylethyl]-4 -(methanesulfonamido)benzamide
  • MW: 439.57 | Formula: C24H29N3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.71 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(c1cccc2c1cccc2)CNC(=O)c1ccc(cc1)NS(=O)(=O)C)CC
  • InChi: 1S/C24H29N3O3S/c1-4-27(5-2)23(22-12-8-10-18-9-6-7-11-21(18)22)17-25-24(28)19-13-15-20(16-14-19)26-31(3,29)30/h6-16,23,26H,4-5,17H2,1-3H3,(H,25,28)
  • InChiKey: IKQSFTKYZOOYEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(diethylamino)-2-(1-naphthyl)ethyl]-4-(methanesulfonamido)benzamide
  • N-[2-(diethylamino)-2-(1-naphthalenyl)ethyl]-4-(methanesulfonamido)benzamide
  • N-[2-(diethylamino)-2-naphthalen-1-yl-ethyl]-4-(methylsulfonylamino)benzamide

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 survival motor neuron protein 1 0.0253 0.1934 0.9673
Schistosoma mansoni hypothetical protein 0.0055 0.0243 0.1143
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0 0.5
Schistosoma mansoni hypothetical protein 0.0181 0.1321 0.6578
Trichomonas vaginalis thymidine kinase, putative 0.0817 0.6765 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.1934 0.9673
Brugia malayi hypothetical protein 0.0474 0.3825 1
Schistosoma mansoni hypothetical protein 0.0181 0.1321 0.6578
Loa Loa (eye worm) runx1 0.0059 0.0278 0.0727
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0349 0.0913
Trypanosoma brucei thymidine kinase 0.0817 0.6765 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0 0.5
Echinococcus multilocularis transfer RNA-Ile 0.026 0.1999 1
Schistosoma mansoni survival motor neuron protein 0.0052 0.0211 0.0982
Trypanosoma cruzi thymidine kinase, putative 0.0817 0.6765 1
Entamoeba histolytica thymidine kinase, putative 0.0817 0.6765 0.5
Loa Loa (eye worm) hypothetical protein 0.0474 0.3825 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0016 0.0042
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.003
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0016 0.0042
Brugia malayi TAR-binding protein 0.0068 0.0349 0.0913
Trichomonas vaginalis thymidine kinase, putative 0.0817 0.6765 0.5
Onchocerca volvulus 0.0052 0.0211 0.0511
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0349 0.0913
Echinococcus granulosus thymidine kinase 0.026 0.1999 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0042
Echinococcus granulosus thymidine kinase 0.026 0.1999 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0349 0.168
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0349 0.168
Echinococcus multilocularis Protein lozenge 0.0059 0.0278 0.132
Onchocerca volvulus 0.0474 0.3825 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0349 0.168
Schistosoma mansoni thymidine kinase 0.026 0.1999 1
Trypanosoma cruzi thymidine kinase, putative 0.0817 0.6765 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0349 0.168
Loa Loa (eye worm) RNA binding protein 0.0068 0.0349 0.0913
Echinococcus multilocularis geminin 0.0181 0.1321 0.6578
Loa Loa (eye worm) hypothetical protein 0.0253 0.1934 0.5057
Echinococcus granulosus geminin 0.0181 0.1321 0.6578
Brugia malayi intermediate filament protein 0.0029 0.0016 0.0042
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0349 0.0913
Schistosoma mansoni hypothetical protein 0.0052 0.0211 0.0982
Brugia malayi hypothetical protein 0.0253 0.1934 0.5057
Echinococcus granulosus tar DNA binding protein 0.0068 0.0349 0.168
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0211 0.0551
Schistosoma mansoni lozenge 0.0059 0.0278 0.132
Echinococcus multilocularis thymidine kinase 0.026 0.1999 1
Brugia malayi RNA binding protein 0.0068 0.0349 0.0913
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.026 0.1999 1
Trichomonas vaginalis thymidine kinase, putative 0.0817 0.6765 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0349 0.168
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0016 0.0042
Echinococcus multilocularis thymidine kinase 0.026 0.1999 1
Leishmania major thymidine kinase, putative 0.0817 0.6765 1
Loa Loa (eye worm) hypothetical protein 0.0474 0.3825 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0349 0.168

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 0 % Percent change in the mean time to first Ouabain-induced arrhythmia was determined in Guinea pig at a dose of 10 mg/kg ChEMBL. 2299628
Delta APD95 (functional) = 4 % Duration of action potential was determined in vitro in Canine Purkinje fibers at 0.1 uM concentration. ChEMBL. 2299628
Delta APD95 (functional) = 29 % Duration of action potential of the compound in vitro against Canine Purkinje fibers; at 1 microM concentration ChEMBL. 2299628
Delta APD95 (functional) = 29 % Duration of action potential of the compound in vitro against Canine Purkinje fibers, at 30 uM concentration. ChEMBL. 2299628
Delta APD95 (functional) = 34 % Duration of action potential of the compound in vitro against Canine Purkinje fibers, at 10 uM concentration. ChEMBL. 2299628
Delta Vmax (ADMET) = -7 % Percent change from control value for Vmax at 30 uM of the compound. ChEMBL. 2299628
Delta Vmax (ADMET) = -4 % Percent change from control value for Vmax at 10 uM of the compound. ChEMBL. 2299628
Delta Vmax (ADMET) = -2 % Percent change from control value for Vmax at 1 uM of the compound. ChEMBL. 2299628
Delta Vmax (ADMET) = 1 % Percent change from control value for Vmax at 0.1 uM of the compound. ChEMBL. 2299628

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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