Detailed information for compound 1483763

Basic information

Technical information
  • TDR Targets ID: 1483763
  • Name: 2-methyl-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[ 3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
  • MW: 405.47 | Formula: C22H19N3O3S
  • H donors: 1 H acceptors: 2 LogP: 3.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1C)Nc1cccc(c1)OCc1cc(=O)n2c(n1)scc2C
  • InChi: 1S/C22H19N3O3S/c1-14-6-3-4-9-19(14)21(27)23-16-7-5-8-18(10-16)28-12-17-11-20(26)25-15(2)13-29-22(25)24-17/h3-11,13H,12H2,1-2H3,(H,23,27)
  • InChiKey: UISAFVPWUDFOCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-[3-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
  • 2-methyl-N-[3-[(3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methoxy]phenyl]benzamide
  • N-[3-[(5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-methyl-benzamide
  • C679-5373
  • NCGC00111340-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

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 brucei unspecified product 0.0023 0 0.5
Echinococcus granulosus high affinity choline transporter 1 0.2774 0.2536 0.2536
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.2774 0.2536 0.2536
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Echinococcus multilocularis high affinity choline transporter 1 0.2774 0.2536 0.2536
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni inositol transporter 1.0871 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni high-affinity choline transporter 0.2774 0.2536 0.2536
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2774 0.2536 1
Loa Loa (eye worm) hypothetical protein 0.2774 0.2536 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi GH02984p 0.2774 0.2536 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.2774 0.2536 0.2536
Echinococcus granulosus sodium:myo inositol cotransporter 1.0871 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni inositol transporter 1.0871 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Echinococcus multilocularis sodium:myo inositol cotransporter 1.0871 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Echinococcus granulosus solute carrier family 5 1.0871 1 1
Onchocerca volvulus 0.2774 0.2536 0.5
Brugia malayi Sodium:solute symporter family protein 0.2774 0.2536 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Echinococcus granulosus sodium:glucose cotransporter 2 1.0871 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Echinococcus multilocularis solute carrier family 5 1.0871 1 1
Echinococcus multilocularis sodium:glucose cotransporter 2 1.0871 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.2774 0.2536 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Schistosoma mansoni sodium/solute symporter 0.2774 0.2536 0.2536
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

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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