Detailed information for compound 1483739

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.415 | Formula: C21H23F3N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.68 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)C(Cc1ccccc1C)NC(=O)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C21H23F3N2O2/c1-3-12-25-20(28)18(13-16-7-5-4-6-14(16)2)26-19(27)15-8-10-17(11-9-15)21(22,23)24/h4-11,18H,3,12-13H2,1-2H3,(H,25,28)(H,26,27)
  • InChiKey: BNQSAELPQKGBIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Onchocerca volvulus 0.0035 0.0898 0.5
Brugia malayi hypothetical protein 0.0024 0.0407 0.0662
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1116 0.5
Loa Loa (eye worm) acetyltransferase 0.0146 0.6146 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0898 0.0513
Loa Loa (eye worm) beta-lactamase 0.0035 0.0898 0.0857
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.6146 1
Brugia malayi beta-lactamase 0.0035 0.0898 0.1462
Plasmodium falciparum peptide deformylase 0.0228 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.3358 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1342 0.0845
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.1116 0.0739
Loa Loa (eye worm) hypothetical protein 0.0035 0.0898 0.0857
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1342 0.0845
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1342 0.0845
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.9733 0.9707
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.5953 1
Brugia malayi beta-lactamase family protein 0.0035 0.0898 0.1462
Loa Loa (eye worm) hypothetical protein 0.0035 0.0898 0.0857
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0898 0.0513
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1342 0.1629
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0898 0.0857
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0228 1 1
Treponema pallidum polypeptide deformylase (def) 0.0228 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.3358 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1284 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0898 0.1666
Loa Loa (eye worm) hypothetical protein 0.0035 0.0898 0.0857
Leishmania major hypothetical protein, conserved 0.0035 0.0898 0.1666
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.3358 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1284 0.0764
Onchocerca volvulus 0.0035 0.0898 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0228 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.3358 1
Brugia malayi beta-lactamase family protein 0.0035 0.0898 0.1462
Loa Loa (eye worm) hypothetical protein 0.0035 0.0898 0.0857
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1284 0.0915
Trypanosoma brucei Polypeptide deformylase 1 0.0087 0.3358 1
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1116 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1284 0.0915
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0898 0.0857
Plasmodium vivax peptide deformylase, putative 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0898 0.0857
Onchocerca volvulus 0.0035 0.0898 0.5
Trypanosoma brucei Peptide deformylase 2 0.0087 0.3358 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1284 1
Leishmania major polypeptide deformylase-like protein, putative 0.0087 0.3358 1
Toxoplasma gondii hypothetical protein 0.0228 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0898 0.1666
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0898 0.1666
Mycobacterium ulcerans peptide deformylase 0.0228 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1342 0.0845
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1342 0.0877
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0898 0.1462
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1284 0.0915
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.6146 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1342 0.0877
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1342 0.0845
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.6146 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1342 0.2183

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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