Detailed information for compound 1539111

Basic information

Technical information
  • TDR Targets ID: 1539111
  • Name: N-[4-(3-nitro-6-oxopiperidin-2-yl)phenyl]acet amide
  • MW: 277.276 | Formula: C13H15N3O4
  • H donors: 2 H acceptors: 4 LogP: 0.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)C1NC(=O)CCC1[N+](=O)[O-]
  • InChi: 1S/C13H15N3O4/c1-8(17)14-10-4-2-9(3-5-10)13-11(16(19)20)6-7-12(18)15-13/h2-5,11,13H,6-7H2,1H3,(H,14,17)(H,15,18)
  • InChiKey: PHQWJMBKBMPLIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(3-nitro-6-oxo-2-piperidyl)phenyl]acetamide
  • N-[4-(3-nitro-6-oxo-2-piperidinyl)phenyl]acetamide
  • N-[4-(6-keto-3-nitro-2-piperidyl)phenyl]acetamide
  • N-[4-(3-nitro-6-oxo-piperidin-2-yl)phenyl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.2299 0.7343
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0217 0.0943
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0217 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.0217 0.071
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Schistosoma mansoni DNA polymerase eta 0.0022 0.0217 0.0217
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0217 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0217 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.7701 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.6806 0.8837
Trypanosoma brucei trypanothione reductase 0.0054 0.2299 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0217 0.0281
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.6806 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.2299 1
Leishmania major DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Loa Loa (eye worm) TAR-binding protein 0.0066 0.3052 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Loa Loa (eye worm) glutathione reductase 0.0054 0.2299 0.7343
Leishmania major DNA polymerase eta, putative 0.0022 0.0217 0.0943
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.2299 0.2985
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0217 0.0943
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0217 0.0217
Echinococcus multilocularis dna polymerase eta 0.0022 0.0217 0.071
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3052 0.3052
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.2299 1
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0217 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.7701 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.6806 0.8837
Echinococcus granulosus dna polymerase eta 0.0022 0.0217 0.071
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.3052 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3052 0.3052
Toxoplasma gondii thioredoxin reductase 0.0054 0.2299 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.3052 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.2299 0.7532
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0217 0.071
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.6806 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0217 0.0943
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0217 0.071
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0217 0.0281
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0138 0.7701 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0217 0.0943
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3052 0.3052
Brugia malayi TAR-binding protein 0.0066 0.3052 1
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0217 0.071
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.2299 0.7532
Brugia malayi RNA binding protein 0.0066 0.3052 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Brugia malayi Thioredoxin reductase 0.0054 0.2299 0.7532
Brugia malayi glutathione reductase 0.0054 0.2299 0.7532
Leishmania major trypanothione reductase 0.0054 0.2299 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3052 0.3052
Plasmodium falciparum thioredoxin reductase 0.0054 0.2299 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.3052 1
Mycobacterium tuberculosis Probable reductase 0.0124 0.6806 0.8837
Giardia lamblia DINP protein human, muc B family 0.0022 0.0217 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.2299 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0217 0.071
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0 0.5
Treponema pallidum NADH oxidase 0.0019 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0217 0.0943
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3052 0.3052
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.3052 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0066 0.3052 1
Trypanosoma brucei unspecified product 0.0022 0.0217 0.0943
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.7701 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.6806 0.8837
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0217 0.071
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0217 0.0943
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0217 0.0943
Plasmodium falciparum glutathione reductase 0.0054 0.2299 1
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0217 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0217 0.0217

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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.

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