Detailed information for compound 1458232

Basic information

Technical information
  • TDR Targets ID: 1458232
  • Name: 4-amino-1-[3-chloro-5-(trifluoromethyl)pyridi n-2-yl]pyrimidin-2-one
  • MW: 290.629 | Formula: C10H6ClF3N4O
  • H donors: 1 H acceptors: 2 LogP: 1.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccn(c(=O)n1)c1ncc(cc1Cl)C(F)(F)F
  • InChi: 1S/C10H6ClF3N4O/c11-6-3-5(10(12,13)14)4-16-8(6)18-2-1-7(15)17-9(18)19/h1-4H,(H2,15,17,19)
  • InChiKey: YUVWQGAGIKXRRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyrimidin-2-one
  • 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-pyrimidinone
  • 4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2(1H)-pyrimidinone
  • MLS000696168
  • SMR000333518
  • 4G-905
  • ZINC01388139

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
Mycobacterium ulcerans hypothetical protein 0.0306 0.2732 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0043 0.0071 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0037 0 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0043 0.0071 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0306 0.2732 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0306 0.2732 1
Echinococcus multilocularis ornithine aminotransferase 0.0043 0.0071 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0043 0.0071 0.026
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0037 0 0.5
Echinococcus granulosus Aminotransferase class III 0.0043 0.0071 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0043 0.0071 0.026
Echinococcus granulosus ornithine aminotransferase 0.0043 0.0071 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0043 0.0071 0.026
Loa Loa (eye worm) pax transcription factor protein 2 0.1023 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0043 0.0071 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0043 0.0071 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0043 0.0071 0.5
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0043 0.0071 0.026
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0037 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0037 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0043 0.0071 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0037 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0306 0.2732 1
Echinococcus multilocularis Aminotransferase class III 0.0043 0.0071 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0043 0.0071 0.026
Trypanosoma cruzi aminopeptidase, putative 0.0037 0 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0306 0.2732 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0037 0 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0037 0 0.5
Mycobacterium ulcerans L-lysine aminotransferase 0.0043 0.0071 0.026
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0306 0.2732 1
Entamoeba histolytica aminopeptidase, putative 0.0037 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0043 0.0071 0.5
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0043 0.0071 0.0071
Onchocerca volvulus 0.1023 1 1

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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 33.8078 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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