Detailed information for compound 1344433

Basic information

Technical information
  • TDR Targets ID: 1344433
  • Name: 2-cyclohexyl-N-[(4-fluorophenyl)methyl]acetam ide
  • MW: 249.324 | Formula: C15H20FNO
  • H donors: 1 H acceptors: 1 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1CCCCC1)NCc1ccc(cc1)F
  • InChi: 1S/C15H20FNO/c16-14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,17,18)
  • InChiKey: KUUFIEGMAAAYHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-cyclohexyl-N-(4-fluorobenzyl)acetamide
  • 2-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide
  • STK213517
  • MLS000685051
  • SMR000291736
  • ZINC00859256
  • Oprea1_630653

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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