Detailed information for compound 1267795

Basic information

Technical information
  • TDR Targets ID: 1267795
  • Name: 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propan amide
  • MW: 263.35 | Formula: C16H22FNO
  • H donors: 1 H acceptors: 1 LogP: 4.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc(cc1)F)CCC1CCCCC1
  • InChi: 1S/C16H22FNO/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)
  • InChiKey: RLQOUSSZQDLHLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclohexyl-N-(4-fluorobenzyl)propionamide
  • SMR000271343
  • ZINC00311875
  • 3-cyclohexyl-N-(4-fluorobenzyl)propanamide
  • MLS000666754

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
Leishmania major C-8 sterol isomerase-like protein 0.1568 1 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0198 0.0838 0.0838
Mycobacterium ulcerans phosphoglycerate kinase 0.0198 0.0838 0.5
Brugia malayi Phosphoglycerate kinase 0.0198 0.0838 0.0838
Schistosoma mansoni vesicular acetylcholine transporter 0.0941 0.581 1
Trypanosoma brucei phosphoglycerate kinase 0.0198 0.0838 0.0838
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0941 0.581 0.5
Leishmania major phosphoglycerate kinase C, glycosomal 0.0198 0.0838 0.0838
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0941 0.581 0.5427
Plasmodium vivax phosphoglycerate kinase, putative 0.0198 0.0838 0.5
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0198 0.0838 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1424 0.1179
Trypanosoma brucei phosphoglycerate kinase 0.0198 0.0838 0.0838
Chlamydia trachomatis phosphoglycerate kinase 0.0198 0.0838 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.1568 1 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0198 0.0838 0.5
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0198 0.0838 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.0941 0.581 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.1424 0.064
Brugia malayi vesicular acetylcholine transporter unc-17 0.0941 0.581 0.581
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0198 0.0838 0.5
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0198 0.0838 0.5
Leishmania major phosphoglycerate kinase B, cytosolic 0.0198 0.0838 0.0838
Echinococcus granulosus vesicular acetylcholine transporter 0.0941 0.581 1
Loa Loa (eye worm) hypothetical protein 0.1568 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1568 1 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0198 0.0838 0.0838
Loa Loa (eye worm) hypothetical protein 0.0801 0.4874 0.4405
Giardia lamblia Phosphoglycerate kinase 0.0198 0.0838 0.5
Plasmodium falciparum phosphoglycerate kinase 0.0198 0.0838 0.5
Brugia malayi hypothetical protein 0.0286 0.1424 0.1424
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1424 0.1179
Entamoeba histolytica phosphoglycerate kinase, putative 0.0198 0.0838 0.5
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0198 0.0838 0.5
Treponema pallidum phosphoglycerate kinase 0.0198 0.0838 0.5
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0198 0.0838 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) 11.6891 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) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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