Detailed information for compound 1359966

Basic information

Technical information
  • TDR Targets ID: 1359966
  • Name: N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-prop anoylphenoxy)acetamide
  • MW: 394.464 | Formula: C23H26N2O4
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1C(=O)N1CCCCC1
  • InChi: 1S/C23H26N2O4/c1-2-21(26)17-10-12-18(13-11-17)29-16-22(27)24-20-9-5-4-8-19(20)23(28)25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,27)
  • InChiKey: CHDXBEITRRAIFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[oxo-(1-piperidyl)methyl]phenyl]-2-[4-(1-oxopropyl)phenoxy]acetamide
  • N-[2-(piperidine-1-carbonyl)phenyl]-2-(4-propionylphenoxy)acetamide
  • N-(2-piperidin-1-ylcarbonylphenyl)-2-(4-propanoylphenoxy)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi p450 reductase, putative 0.0164 0.0921 0.5
Echinococcus granulosus geminin 0.0205 0.1372 0.2288
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0164 0.0921 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.1372 0.2614
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0164 0.0921 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0164 0.0921 1
Loa Loa (eye worm) hypothetical protein 0.0302 0.2453 0.4438
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0164 0.0921 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0164 0.0921 0.1391
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0164 0.0921 0.0715
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0164 0.0921 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2187 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.0083 0.0014 0.0026
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0164 0.0921 0.5
Giardia lamblia Hypothetical protein 0.0145 0.0713 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0164 0.0921 1
Chlamydia trachomatis sulfite reductase 0.0101 0.0222 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.0921 0.1391
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0164 0.0921 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0081 0 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0164 0.0921 1
Giardia lamblia Nitric oxide synthase, inducible 0.0145 0.0713 0.5
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0553 0.5249 1
Brugia malayi flavodoxin family protein 0.0164 0.0921 0.1391
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0164 0.0921 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0164 0.0921 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0164 0.0921 0.5
Echinococcus multilocularis histone h3 methyltransferase 0.0553 0.5249 0.5141
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0164 0.0921 0.1391
Schistosoma mansoni cytochrome P450 reductase 0.0164 0.0921 0.1755
Loa Loa (eye worm) hypothetical protein 0.0265 0.204 0.3616
Loa Loa (eye worm) FAD binding domain-containing protein 0.0164 0.0921 0.1391
Toxoplasma gondii flavodoxin domain-containing protein 0.0081 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0553 0.5249 1
Brugia malayi FAD binding domain containing protein 0.0164 0.0921 0.1391
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0101 0.0222 0.0422
Leishmania major p450 reductase, putative 0.0164 0.0921 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0164 0.0921 0.0715
Schistosoma mansoni hypothetical protein 0.0205 0.1372 0.2614
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0302 0.2453 0.4673
Echinococcus multilocularis geminin 0.0205 0.1372 0.1176
Echinococcus granulosus histone h3 methyltransferase 0.0553 0.5249 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0302 0.2453 0.4438
Loa Loa (eye worm) hypothetical protein 0.0302 0.2453 0.4438
Schistosoma mansoni histone J3 methyltransferase 0.0553 0.5249 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0052 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) 0.0738 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.4611 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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