Detailed information for compound 1447826

Basic information

Technical information
  • TDR Targets ID: 1447826
  • Name: N-(3-chloro-4-methylphenyl)-2-methylsulfanyl- 4-phenylpyrimidine-5-carboxamide
  • MW: 369.868 | Formula: C19H16ClN3OS
  • H donors: 1 H acceptors: 3 LogP: 4.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ncc(c(n1)c1ccccc1)C(=O)Nc1ccc(c(c1)Cl)C
  • InChi: 1S/C19H16ClN3OS/c1-12-8-9-14(10-16(12)20)22-18(24)15-11-21-19(25-2)23-17(15)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,22,24)
  • InChiKey: VOXXYFZDAHAZRO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-4-methyl-phenyl)-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide
  • N-(3-chloro-4-methylphenyl)-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide
  • N-(3-chloro-4-methyl-phenyl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide
  • E727-0398
  • NCGC00124478-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.0227 1
Mycobacterium ulcerans transcriptional regulator 0.4699 1 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.0659 1
Mycobacterium ulcerans TetR family transcriptional regulator 0.4699 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0003 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0003 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.0659 1
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.4699 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0245 0.3643
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0003 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.0227 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.0227 1
Toxoplasma gondii hypothetical protein 0.0059 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0003 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.0201 0.5
Mycobacterium ulcerans AcrR family transcriptional regulator 0.4699 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0659 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0659 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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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