Detailed information for compound 914548

Basic information

Technical information
  • TDR Targets ID: 914548
  • Name: N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyri din-3-yl]benzamide
  • MW: 325.362 | Formula: C18H19N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)Cn1cccc(c1=O)NC(=O)c1ccccc1
  • InChi: 1S/C18H19N3O3/c22-16(20-10-4-5-11-20)13-21-12-6-9-15(18(21)24)19-17(23)14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,19,23)
  • InChiKey: SQCLEZAQARBINE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-pyridyl]benzamide
  • N-[2-oxo-1-(2-oxo-2-1-pyrrolidinylethyl)-3-pyridyl]benzamide
  • N-[2-keto-1-(2-keto-2-pyrrolidin-1-yl-ethyl)-3-pyridyl]benzamide
  • N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyridin-3-yl]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
Schistosoma mansoni hypothetical protein 0.0039 0.0904 0.0865
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0043 0.0126
Echinococcus granulosus expressed conserved protein 0.009 0.315 0.5976
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.5242 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0192 0.7738 1
Brugia malayi Thioredoxin reductase 0.0076 0.2529 0.7418
Plasmodium falciparum thioredoxin reductase 0.0076 0.2529 1
Brugia malayi nuclear hormone receptor 0.002 0.0043 0.0126
Echinococcus granulosus Protein patched homolog 1 0.0041 0.097 0.1783
Schistosoma mansoni hypothetical protein 0.0039 0.0904 0.0865
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0173 0.6874 0.8837
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.097 0.1783
Schistosoma mansoni hypothetical protein 0.0039 0.0904 0.0865
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.3409 0.5
Toxoplasma gondii thioredoxin reductase 0.0076 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0043 0.0126
Brugia malayi nuclear receptor NHR-88 0.002 0.0043 0.0126
Echinococcus granulosus thioredoxin glutathione reductase 0.0077 0.2574 0.4868
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0043 0.0126
Echinococcus multilocularis expressed conserved protein 0.009 0.315 0.5976
Leishmania major trypanothione reductase 0.0076 0.2529 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0312 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0026 0.0312 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.3409 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0043 0.0126
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0173 0.6874 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0043 0.0126
Loa Loa (eye worm) hypothetical protein 0.0041 0.097 0.2754
Echinococcus multilocularis thioredoxin glutathione reductase 0.0077 0.2574 0.4868
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0026 0.0312 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0043 0.0126
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.097 0.1783
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0043 0.0126
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0312 0.0518
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0026 0.0312 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0173 0.6874 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0192 0.7738 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0026 0.0312 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0043 0.0126
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0043 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0043 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0043 0.0126
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.3409 0.6474
Brugia malayi steroid hormone receptor 0.002 0.0043 0.0126
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0312 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.097 0.2754
Brugia malayi ecdysteroid receptor 0.002 0.0043 0.0126
Brugia malayi glutathione reductase 0.0076 0.2529 0.7418
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.3475 0.3447
Loa Loa (eye worm) hypothetical protein 0.005 0.1382 0.398
Loa Loa (eye worm) thioredoxin reductase 0.0076 0.2529 0.7385
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0312 0.0915
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0043 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0076 0.2529 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0173 0.6874 0.8837
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.097 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0312 0.027
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.5242 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0192 0.7738 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0043 0.0126
Loa Loa (eye worm) glutathione reductase 0.0076 0.2529 0.7385
Brugia malayi CHE-14 protein 0.0041 0.097 0.2845
Plasmodium falciparum glutathione reductase 0.0076 0.2529 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0312 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0904 0.0865
Schistosoma mansoni patched 1 0.0041 0.097 0.0931
Loa Loa (eye worm) hypothetical protein 0.0095 0.3409 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.1229 0.2281
Mycobacterium tuberculosis Probable oxidoreductase 0.0192 0.7738 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0043 0.0126
Trypanosoma brucei trypanothione reductase 0.0076 0.2529 1
Plasmodium vivax thioredoxin reductase, putative 0.0076 0.2529 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0043 0.0126
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0173 0.6874 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0043 0.0126
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0312 0.0518
Plasmodium vivax glutathione reductase, putative 0.0076 0.2529 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.3409 0.6474
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0043 0.0126
Mycobacterium tuberculosis Probable reductase 0.0173 0.6874 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0076 0.2529 0.2985
Echinococcus multilocularis protein patched 0.0041 0.097 0.1783
Treponema pallidum NADH oxidase 0.0026 0.0312 0.5
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0043 0.0126
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0043 0.5
Onchocerca volvulus 0.002 0.0043 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 20 % Inhibition of rabbit muscle glycogen phosphorylase at 222 uM ChEMBL. 19443226

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.

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