Detailed information for compound 1537851

Basic information

Technical information
  • TDR Targets ID: 1537851
  • Name: N-[4-[2-(2,3-dimethylpyridin-1-ium-1-yl)acety l]phenyl]benzamide
  • MW: 345.414 | Formula: C22H21N2O2+
  • H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)NC(=O)c1ccccc1)C[n+]1cccc(c1C)C
  • InChi: 1S/C22H20N2O2/c1-16-7-6-14-24(17(16)2)15-21(25)18-10-12-20(13-11-18)23-22(26)19-8-4-3-5-9-19/h3-14H,15H2,1-2H3/p+1
  • InChiKey: BYKZAWRNEIBOLI-UHFFFAOYSA-O  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide
  • N-[4-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide
  • 1-{2-[4-(benzoylamino)phenyl]-2-oxoethyl}-2,3-dimethylpyridinium
  • MLS001143338
  • SMR000473183

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0218 0.0396
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0218 0.0396
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0054 0.0218 0.5
Echinococcus multilocularis tumor protein p63 0.0768 1 1
Onchocerca volvulus 0.0427 0.5329 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1025 0.1911
Echinococcus multilocularis ring and YY1 binding protein 0.0152 0.1564 0.1395
Trypanosoma brucei hypothetical protein, conserved 0.0152 0.1564 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0427 0.5329 1
Echinococcus granulosus ring and YY1 binding protein 0.0152 0.1564 0.1395
Loa Loa (eye worm) hypothetical protein 0.0152 0.1564 0.2926
Trichomonas vaginalis conserved hypothetical protein 0.0427 0.5329 0.5
Schistosoma mansoni hypothetical protein 0.0427 0.5329 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0152 0.1564 0.1395
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0427 0.5329 1
Brugia malayi hypothetical protein 0.0058 0.0282 0.053
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.1564 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0427 0.5329 0.5235
Echinococcus multilocularis SWI:SNF matrix associated 0.0427 0.5329 0.5235
Loa Loa (eye worm) hypothetical protein 0.0152 0.1564 0.2926
Onchocerca volvulus 0.0152 0.1564 0.1254
Onchocerca volvulus 0.0152 0.1564 0.1254
Brugia malayi Cytochrome P450 family protein 0.0054 0.0218 0.041
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0152 0.1564 0.1395
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0152 0.1564 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.1564 0.2936
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.1564 0.2936
Onchocerca volvulus 0.0152 0.1564 0.1254
Loa Loa (eye worm) hypothetical protein 0.0152 0.1564 0.2926
Schistosoma mansoni hypothetical protein 0.0152 0.1564 0.2665
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.0282 0.0476
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0427 0.5329 0.5235
Leishmania major hypothetical protein, conserved 0.0152 0.1564 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0282 0.0516
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.1564 0.2936
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.1564 1
Schistosoma mansoni RNA binding protein 0.0152 0.1564 0.2665
Echinococcus granulosus zinc finger protein Ran binding 0.0152 0.1564 0.1395
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0152 0.1564 0.1395
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0152 0.1564 0.2936
Leishmania major hypothetical protein, conserved 0.0058 0.0282 0.0476
Onchocerca volvulus 0.0152 0.1564 0.1254
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.1564 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0427 0.5329 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0427 0.5329 1
Brugia malayi Cytochrome P450 family protein 0.0054 0.0218 0.041
Plasmodium vivax hypothetical protein, conserved 0.0427 0.5329 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0197 0.0369
Schistosoma mansoni hypothetical protein 0.0427 0.5329 1
Chlamydia trachomatis DNA topoisomerase I 0.0427 0.5329 0.5
Leishmania major hypothetical protein, conserved 0.0152 0.1564 1
Schistosoma mansoni brg-1 associated factor 0.0427 0.5329 1
Loa Loa (eye worm) CYP4Cod1 0.0054 0.0218 0.0396
Trypanosoma cruzi WLM domain containing protein, putative 0.0152 0.1564 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0427 0.5329 0.5235
Toxoplasma gondii ran binding protein 0.0152 0.1564 0.2541
Trypanosoma cruzi PAB1-binding protein , putative 0.0058 0.0282 0.0476
Leishmania major hypothetical protein, conserved 0.0152 0.1564 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0152 0.1564 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1564 0.2926
Brugia malayi brahma associated protein 60 kDa 0.0427 0.5329 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0152 0.1564 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0152 0.1564 0.1254
Echinococcus granulosus SWI:SNF matrix associated 0.0427 0.5329 0.5235
Leishmania major hypothetical protein, conserved 0.0152 0.1564 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0427 0.5329 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0152 0.1564 0.1395
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0197 0.0356
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0152 0.1564 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0152 0.1564 0.1395
Trypanosoma brucei PAB1-binding protein , putative 0.0058 0.0282 0.0476
Leishmania major hypothetical protein, conserved 0.0152 0.1564 1
Loa Loa (eye worm) brahma associated protein 0.0427 0.5329 1
Brugia malayi brahma associated protein 60 kDa 0.0427 0.5329 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0427 0.5329 0.5235
Trypanosoma brucei hypothetical protein, conserved 0.0152 0.1564 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0152 0.1564 1
Brugia malayi YY1-associated factor 2 0.0152 0.1564 0.2936
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0152 0.1564 1
Schistosoma mansoni TRABID protein (C64 family) 0.0152 0.1564 0.2665
Schistosoma mansoni fusion 0.0152 0.1564 0.2665
Schistosoma mansoni cellular tumor antigen P53 0.0112 0.1025 0.1613
Brugia malayi SWIB/MDM2 domain containing protein 0.0427 0.5329 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0427 0.5329 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0152 0.1564 1
Schistosoma mansoni hypothetical protein 0.0427 0.5329 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0152 0.1564 0.2541
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0152 0.1564 0.2541
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0152 0.1564 1
Chlamydia trachomatis SWIB complex protein 0.0427 0.5329 0.5
Schistosoma mansoni zinc finger protein 0.0152 0.1564 0.2665
Loa Loa (eye worm) hypothetical protein 0.0152 0.1564 0.2926

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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

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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