Detailed information for compound 1358532

Basic information

Technical information
  • TDR Targets ID: 1358532
  • Name: 1-[(3-fluorophenyl)methyl]-N,N,5-trimethyl-2, 4-dioxo-3-[2-(trifluoromethyl)phenyl]thieno[4 ,5-e]pyrimidine-6-carboxamide
  • MW: 505.485 | Formula: C24H19F4N3O3S
  • H donors: 0 H acceptors: 3 LogP: 5.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1cccc(c1)Cn1c2sc(c(c2c(=O)n(c1=O)c1ccccc1C(F)(F)F)C)C(=O)N(C)C
  • InChi: 1S/C24H19F4N3O3S/c1-13-18-20(32)31(17-10-5-4-9-16(17)24(26,27)28)23(34)30(12-14-7-6-8-15(25)11-14)22(18)35-19(13)21(33)29(2)3/h4-11H,12H2,1-3H3
  • InChiKey: JAEOIJOTAMYIRL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(3-fluorophenyl)methyl]-N,N,5-trimethyl-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-6-thieno[4,5-e]pyrimidinecarboxamide
  • 1-(3-fluorobenzyl)-2,4-diketo-N,N,5-trimethyl-3-[2-(trifluoromethyl)phenyl]thieno[4,5-e]pyrimidine-6-carboxamide
  • K305-0393
  • NCGC00138688-01

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723

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 DNA polymerase IV, putative 0.0023 0.4504 1
Schistosoma mansoni lamin 0.0033 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.4504 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4504 1
Echinococcus granulosus intermediate filament protein 0.0033 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.4504 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4504 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.4504 0.4504
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.4504 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.4504 0.5
Trypanosoma brucei unspecified product 0.0023 0.4504 1
Schistosoma mansoni intermediate filament proteins 0.0033 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4504 0.5
Echinococcus granulosus lamin dm0 0.0033 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.4504 0.5
Echinococcus multilocularis lamin dm0 0.0033 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.4504 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.4504 0.4504
Onchocerca volvulus 0.0033 1 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.4504 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4504 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.4504 0.4504
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.4504 0.5
Echinococcus granulosus dna polymerase eta 0.0023 0.4504 0.4504
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.4504 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.4504 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.4504 0.4504
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.4504 0.4504
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 1 1
Echinococcus granulosus lamin 0.0033 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1026 0.1026
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.4504 0.5
Onchocerca volvulus 0.0033 1 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.4504 0.4504
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.4504 0.4504
Brugia malayi Intermediate filament tail domain containing protein 0.0033 1 1
Echinococcus multilocularis musashi 0.0033 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.4504 0.5
Echinococcus multilocularis lamin 0.0033 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.4504 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Loa Loa (eye worm) hypothetical protein 0.0033 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Leishmania major DNA polymerase eta, putative 0.0023 0.4504 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.4504 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.4504 1
Schistosoma mansoni lamin 0.0033 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.4504 0.3875
Loa Loa (eye worm) hypothetical protein 0.0032 0.9646 0.9646
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.4504 0.3875

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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