Detailed information for compound 1483747

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.771 | Formula: C17H17ClF3NO2
  • H donors: 0 H acceptors: 1 LogP: 3.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C[C@H]2N([C@@H]1CC2)C)c1ccc(c(c1)C(F)(F)F)Cl
  • InChi: 1S/C17H17ClF3NO2/c1-22-10-4-6-14(22)15(16(23)24-2)11(8-10)9-3-5-13(18)12(7-9)17(19,20)21/h3,5,7,10,14H,4,6,8H2,1-2H3/t10-,14+/m0/s1
  • InChiKey: ZISDHYZYWRLHTQ-IINYFYTJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Entamoeba histolytica ribosomal RNA methyltransferase, putative 0.002 0.5 0.5
Schistosoma mansoni ribosomal RNA methyltransferase 0.002 0.5 0.5
Brugia malayi ribosomal RNA methyltransferase 0.002 0.5 0.5
Plasmodium falciparum large subunit rRNA methyltransferase, putative 0.002 0.5 0.5
Plasmodium vivax ribosomal RNA large subunit methyltransferase J, putative 0.002 0.5 0.5
Echinococcus multilocularis rrna methyltransferase 3 0.002 0.5 0.5
Plasmodium falciparum ribosomal RNA methyltransferase, putative 0.002 0.5 0.5
Toxoplasma gondii ribosomal RNA large subunit methyltransferase J protein 0.002 0.5 0.5
Echinococcus granulosus rrna methyltransferase 3 0.002 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.5 0.5
Onchocerca volvulus Putative ribosomal RNA methyltransferase 0.002 0.5 0.5
Echinococcus granulosus putative ribosomal RNA methyltransferase/cell division FtsJ protein 0.002 0.5 0.5
Trypanosoma brucei 2'-O-ribose RNA methyltransferase SPB1 homolog 0.002 0.5 0.5
Treponema pallidum cell division protein (ftsJ) 0.002 0.5 0.5
Trichomonas vaginalis ribosomal RNA methyltransferase, putative 0.002 0.5 0.5
Giardia lamblia FtsJ cell division protein, putative 0.002 0.5 0.5
Plasmodium vivax FtsJ-like methyltransferase, putative 0.002 0.5 0.5
Echinococcus multilocularis ribosomal RNA large subunit methyltransferase 0.002 0.5 0.5
Loa Loa (eye worm) ribosomal RNA methyltransferase 0.002 0.5 0.5
Schistosoma mansoni cell division protein ftsj 0.002 0.5 0.5
Toxoplasma gondii ribosomal RNA methyltransferase (FtsJ) family protein 0.002 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.