Detailed information for compound 1451233

Basic information

Technical information
  • TDR Targets ID: 1451233
  • Name: N-(4-fluorophenyl)-4-[(2-methylbenzoyl)amino] piperidine-1-carboxamide
  • MW: 355.406 | Formula: C20H22FN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)N1CCC(CC1)NC(=O)c1ccccc1C
  • InChi: 1S/C20H22FN3O2/c1-14-4-2-3-5-18(14)19(25)22-17-10-12-24(13-11-17)20(26)23-16-8-6-15(21)7-9-16/h2-9,17H,10-13H2,1H3,(H,22,25)(H,23,26)
  • InChiKey: OCHDKASAWZVGFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-4-[[(2-methylphenyl)-oxomethyl]amino]-1-piperidinecarboxamide
  • N-(4-fluorophenyl)-4-[(2-methylphenyl)carbonylamino]piperidine-1-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
Brugia malayi TAR-binding protein 0.0863 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0502 0.5639 0.5639
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.0204 0.0204
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.0204 0.0204
Schistosoma mansoni hypothetical protein 0.018 0.176 0.176
Brugia malayi hypothetical protein 0.0164 0.1565 0.1565
Leishmania major hypothetical protein, conserved 0.0107 0.0874 1
Loa Loa (eye worm) hypothetical protein 0.018 0.176 0.176
Brugia malayi Isocitrate dehydrogenase 0.0051 0.0204 0.0204
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.018 0.176 0.176
Echinococcus multilocularis GPCR, family 2 0.018 0.176 0.176
Brugia malayi latrophilin 2 splice variant baaae 0.0389 0.4281 0.4281
Schistosoma mansoni hypothetical protein 0.0048 0.0165 0.0165
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0046 0.0046
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0051 0.0204 0.5
Loa Loa (eye worm) TAR-binding protein 0.0863 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.018 0.176 0.176
Toxoplasma gondii LsmAD domain-containing protein 0.0107 0.0874 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0874 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0863 1 1
Echinococcus multilocularis tar DNA binding protein 0.0863 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.018 0.176 0.176
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0046 0.0046
Entamoeba histolytica hypothetical protein 0.0038 0.0046 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0107 0.0874 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.018 0.176 0.176
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0048 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0107 0.0874 0.0874
Brugia malayi isocitrate dehydrogenase 0.0051 0.0204 0.0204
Schistosoma mansoni hypothetical protein 0.018 0.176 0.176
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0204 0.0204
Entamoeba histolytica hypothetical protein 0.0038 0.0046 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0046 0.5
Schistosoma mansoni tar DNA-binding protein 0.0863 1 1
Schistosoma mansoni tar DNA-binding protein 0.0863 1 1
Schistosoma mansoni hypothetical protein 0.0038 0.0046 0.0046
Entamoeba histolytica hypothetical protein 0.0038 0.0046 0.5
Schistosoma mansoni hypothetical protein 0.0389 0.4281 0.4281
Loa Loa (eye worm) hypothetical protein 0.0164 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0569 0.6453 0.6453
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0569 0.6453 0.6453
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.0204 0.0204
Brugia malayi hypothetical protein 0.0069 0.0418 0.0418
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.0204 0.0204
Plasmodium vivax ataxin-2 like protein, putative 0.0107 0.0874 1
Schistosoma mansoni hypothetical protein 0.018 0.176 0.176
Brugia malayi Latrophilin receptor protein 2 0.018 0.176 0.176
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0874 1
Brugia malayi RNA recognition motif domain containing protein 0.0863 1 1
Brugia malayi MH2 domain containing protein 0.0502 0.5639 0.5639
Schistosoma mansoni hypothetical protein 0.018 0.176 0.176
Schistosoma mansoni tar DNA-binding protein 0.0863 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.018 0.176 0.176
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.037 0.4057 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0502 0.5639 0.5639
Echinococcus granulosus GPCR family 2 0.018 0.176 0.176
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0048 0.0165 0.0165
Plasmodium falciparum ataxin-2 like protein, putative 0.0107 0.0874 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0569 0.6453 0.6453
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.0204 0.0204
Loa Loa (eye worm) RNA binding protein 0.0863 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0569 0.6453 0.6453
Schistosoma mansoni tar DNA-binding protein 0.0863 1 1
Brugia malayi hypothetical protein 0.0038 0.0046 0.0046
Trypanosoma brucei PAB1-binding protein , putative 0.0107 0.0874 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0204 0.0204
Brugia malayi hypothetical protein 0.0107 0.0874 0.0874
Brugia malayi N-terminal motif family protein 0.037 0.4057 0.4057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.037 0.4057 0.4057
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0046 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0863 1 1
Loa Loa (eye worm) hypothetical protein 0.0389 0.4281 0.4281
Echinococcus granulosus tar DNA binding protein 0.0863 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.018 0.176 0.176

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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