Detailed information for compound 1274285

Basic information

Technical information
  • TDR Targets ID: 1274285
  • Name: 1,4,6,6-tetramethyl-2-oxo-5H-pyridine-3-carbo nitrile
  • MW: 178.231 | Formula: C10H14N2O
  • H donors: 0 H acceptors: 2 LogP: 0.75 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(C)CC(N(C1=O)C)(C)C
  • InChi: 1S/C10H14N2O/c1-7-5-10(2,3)12(4)9(13)8(7)6-11/h5H2,1-4H3
  • InChiKey: PIWXAVWLDPAFQJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-keto-1,4,6,6-tetramethyl-5H-pyridine-3-carbonitrile
  • 1,4,6,6-Tetramethyl-2-oxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
  • MLS000029352
  • SMR000008777
  • ZINC03093190
  • BAS 00381722

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
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0132 0.3389 0.5549
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.3944 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0132 0.3389 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0306 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0114 0.2696 0.7119
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.3788 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0132 0.3389 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0132 0.3389 0.8947
Echinococcus multilocularis fk506 binding protein 0.0132 0.3389 0.5549
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0132 0.3389 0.3148
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0132 0.3389 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0132 0.3389 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0132 0.3389 0.5
Schistosoma mansoni immunophilin 0.0132 0.3389 0.5549
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.3867 0.0723
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0132 0.3389 0.8947
Mycobacterium ulcerans hypothetical protein 0.0161 0.449 1
Trichomonas vaginalis fk506-binding protein, putative 0.0132 0.3389 1
Toxoplasma gondii hypothetical protein 0.0049 0.0235 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0132 0.3389 1
Schistosoma mansoni immunophilin 0.0132 0.3389 0.5549
Trichomonas vaginalis immunophilin, putative 0.0132 0.3389 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0132 0.3389 0.5
Loa Loa (eye worm) acetyltransferase 0.0147 0.3944 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0132 0.3389 0.3148
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.449 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.3867 0.0723
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.3944 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0132 0.3389 0.5549
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0132 0.3389 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.3944 1
Loa Loa (eye worm) FKBP5 protein 0.0132 0.3389 0.5549
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0132 0.3389 0.3148
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.3867 0.3643
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0132 0.3389 0.3148
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0132 0.3389 0.5549
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0132 0.3389 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 100 uM PubChem BioAssay. An HIV-1 Tat-TAR Fluorescence Polarization (FP) Counter Screen to evaluate Inhibitors Targeting HIV-1 Vif-dependent Degradation of Human APOBEC3G. (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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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