Detailed information for compound 1682653

Basic information

Technical information
  • TDR Targets ID: 1682653
  • Name: (4R)-3,3-dimethyl-2-oxo-4-(phenylmethyl)-N-(p yridin-4-ylmethyl)azetidine-1-carboxamide
  • MW: 323.389 | Formula: C19H21N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1C(=O)C([C@H]1Cc1ccccc1)(C)C)NCc1ccncc1
  • InChi: 1S/C19H21N3O2/c1-19(2)16(12-14-6-4-3-5-7-14)22(17(19)23)18(24)21-13-15-8-10-20-11-9-15/h3-11,16H,12-13H2,1-2H3,(H,21,24)/t16-/m1/s1
  • InChiKey: ZMRMZKSFYNLVTM-MRXNPFEDSA-N  

Network

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Synonyms

  • (4R)-3,3-dimethyl-2-oxo-4-(phenylmethyl)-N-(4-pyridylmethyl)azetidine-1-carboxamide
  • (4R)-3,3-dimethyl-2-oxo-4-(phenylmethyl)-N-(4-pyridylmethyl)-1-azetidinecarboxamide
  • (2R)-2-(benzyl)-4-keto-3,3-dimethyl-N-(4-pyridylmethyl)azetidine-1-carboxamide
  • AIDS-097914
  • AIDS097914
  • [(4R)-3,3-Dimethyl-2-oxo-4-benzylazetidinyl]-N-(4-pyridylmethyl)carboxamide

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 multilocularis thioredoxin glutathione reductase 0.0055 0.0863 0.1114
Echinococcus multilocularis peroxidasin 0.026 0.7743 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.3246 0.8342
Loa Loa (eye worm) animal heme peroxidase 0.026 0.7743 1
Loa Loa (eye worm) animal heme peroxidase 0.026 0.7743 1
Brugia malayi glutathione reductase 0.0055 0.0863 0.1114
Onchocerca volvulus 0.026 0.7743 1
Schistosoma mansoni peroxidasin 0.026 0.7743 0.7743
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.3246 0.8342
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.3719 1
Plasmodium vivax glutathione reductase, putative 0.0055 0.0863 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.3246 0.8342
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.3129 0.4042
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.3129 0.4042
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Onchocerca volvulus 0.026 0.7743 1
Trypanosoma brucei trypanothione reductase 0.0055 0.0863 0.5
Brugia malayi Thioredoxin reductase 0.0055 0.0863 0.1114
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.3246 0.8342
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0863 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.0418 0.5
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Brugia malayi Animal haem peroxidase family protein 0.026 0.7743 1
Brugia malayi Animal haem peroxidase family protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.3246 0.8342
Schistosoma mansoni hypothetical protein 0.0042 0.0418 0.0418
Entamoeba histolytica hypothetical protein 0.0042 0.0418 0.5
Mycobacterium tuberculosis Probable reductase 0.0126 0.3246 0.8342
Loa Loa (eye worm) animal heme peroxidase 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0418 0.054
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0418 0.054
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0863 0.5
Brugia malayi hypothetical protein 0.0042 0.0418 0.054
Onchocerca volvulus Dual oxidase homolog 0.026 0.7743 1
Brugia malayi Animal haem peroxidase family protein 0.026 0.7743 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0418 0.0418
Entamoeba histolytica hypothetical protein 0.0042 0.0418 0.5
Brugia malayi Blistered cuticle protein 3 0.026 0.7743 1
Mycobacterium ulcerans hypothetical protein 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Brugia malayi Peroxidasin 0.026 0.7743 1
Brugia malayi MH2 domain containing protein 0.0123 0.3129 0.4042
Onchocerca volvulus Peroxidasin homolog 0.026 0.7743 1
Schistosoma mansoni peroxidasin 0.026 0.7743 0.7743
Plasmodium falciparum glutathione reductase 0.0055 0.0863 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.0418 0.5
Onchocerca volvulus Peroxidase homolog 0.026 0.7743 1
Toxoplasma gondii thioredoxin reductase 0.0055 0.0863 0.5
Onchocerca volvulus Peroxidasin homolog 0.026 0.7743 1
Onchocerca volvulus Peroxidase homolog 0.026 0.7743 1
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0863 0.1114
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0863 0.1114
Loa Loa (eye worm) blistered cuticle protein 3 0.026 0.7743 1
Onchocerca volvulus Chorion peroxidase homolog 0.026 0.7743 1
Onchocerca volvulus 0.026 0.7743 1
Brugia malayi hypothetical protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.3719 1
Echinococcus granulosus peroxidasin 0.026 0.7743 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.0863 0.1114
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.3719 1
Brugia malayi Animal haem peroxidase family protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.3719 1
Brugia malayi Animal haem peroxidase family protein 0.026 0.7743 1
Leishmania major trypanothione reductase 0.0055 0.0863 0.5
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Loa Loa (eye worm) hypothetical protein 0.026 0.7743 1
Plasmodium falciparum thioredoxin reductase 0.0055 0.0863 0.5
Loa Loa (eye worm) animal heme peroxidase 0.026 0.7743 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 300 uM Inhibitory activity against human cytomegalovirus (HCMV) protease ChEMBL. 9667976

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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