Detailed information for compound 708245

Basic information

Technical information
  • TDR Targets ID: 708245
  • Name: N-(4-methoxyphenyl)-2-piperidin-1-yl-5-(propa noylamino)benzamide
  • MW: 381.468 | Formula: C22H27N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.34 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)Nc1ccc(c(c1)C(=O)Nc1ccc(cc1)OC)N1CCCCC1
  • InChi: 1S/C22H27N3O3/c1-3-21(26)23-17-9-12-20(25-13-5-4-6-14-25)19(15-17)22(27)24-16-7-10-18(28-2)11-8-16/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)(H,24,27)
  • InChiKey: OIEGYQUWRIYMRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-methoxyphenyl)-2-(1-piperidyl)-5-(propanoylamino)benzamide
  • N-(4-methoxyphenyl)-5-(1-oxopropylamino)-2-(1-piperidyl)benzamide
  • N-(4-methoxyphenyl)-2-piperidino-5-propionamido-benzamide
  • ZINC04757917

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.1313
Brugia malayi hypothetical protein 0.0043 0.1029 0.1029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1029 0.1029
Plasmodium falciparum phd finger protein, putative 0.0035 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.5155 0.5155
Schistosoma mansoni hypothetical protein 0.0041 0.0742 0.1054
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1721 0.1721
Brugia malayi RNA binding protein 0.0076 0.5155 0.5155
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5155 0.5155
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0925 0.1794
Echinococcus granulosus tar DNA binding protein 0.0076 0.5155 0.5155
Onchocerca volvulus Alhambra homolog 0.0035 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.312 0.312
Loa Loa (eye worm) hypothetical protein 0.0041 0.0742 0.144
Loa Loa (eye worm) hypothetical protein 0.006 0.314 0.6092
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1029 0.1029
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5155 0.5155
Entamoeba histolytica hypothetical protein 0.0043 0.1029 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0742 0.0742
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.312 0.312
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1029 0.1461
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0925 0.0925
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Brugia malayi jmjC domain containing protein 0.0043 0.0925 0.0925
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1721 0.1721
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7041 1
Entamoeba histolytica hypothetical protein 0.0043 0.1029 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0925 0.1313
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.312 0.6053
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.468 0.9079
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.312 0.6053
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.1029 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5155 1
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.5155 1
Entamoeba histolytica hypothetical protein 0.0043 0.1029 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0925 0.0925
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5155 1
Schistosoma mansoni hypothetical protein 0.0043 0.1029 0.1461
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5155 0.7321

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 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) 22.3872 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 100 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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