Detailed information for compound 1438346

Basic information

Technical information
  • TDR Targets ID: 1438346
  • Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoeth yl] pyrazine-2-carboxylate
  • MW: 327.123 | Formula: C12H8Cl2N4O3
  • H donors: 1 H acceptors: 5 LogP: 1.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncc(cc1Cl)Cl)COC(=O)c1cnccn1
  • InChi: 1S/C12H8Cl2N4O3/c13-7-3-8(14)11(17-4-7)18-10(19)6-21-12(20)9-5-15-1-2-16-9/h1-5H,6H2,(H,17,18,19)
  • InChiKey: ACLJYFOETHDTJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] pyrazine-2-carboxylate
  • 2-pyrazinecarboxylic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxoethyl] ester
  • pyrazinic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester
  • [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxo-ethyl] pyrazine-2-carboxylate
  • ZINC06486167

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
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0323 0.5 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0323 0.5 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0323 0.5 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0323 0.5 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0323 0.5 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0323 0.5 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0323 0.5 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.0323 0.5 0.5
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0323 0.5 0.5
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0323 0.5 0.5
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0323 0.5 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0323 0.5 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0323 0.5 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0323 0.5 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.0323 0.5 0.5
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0323 0.5 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0323 0.5 0.5
Leishmania major farnesyl pyrophosphate synthase 0.0323 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 37.933 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 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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