Detailed information for compound 876179

Basic information

Technical information
  • TDR Targets ID: 876179
  • Name: 5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)met hyl]thieno[3,2-e]pyrimidin-4-one
  • MW: 364.436 | Formula: C21H17FN2OS
  • H donors: 0 H acceptors: 1 LogP: 4.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1Cn1cnc2c(c1=O)c(cs2)c1ccc(c(c1)C)C
  • InChi: 1S/C21H17FN2OS/c1-13-7-8-15(9-14(13)2)17-11-26-20-19(17)21(25)24(12-23-20)10-16-5-3-4-6-18(16)22/h3-9,11-12H,10H2,1-2H3
  • InChiKey: OVLFNXSPVCCESD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-4-thieno[3,2-e]pyrimidinone
  • 5-(3,4-dimethylphenyl)-3-(2-fluorobenzyl)thieno[3,2-e]pyrimidin-4-one
  • ST5197089
  • AP-906/41640905
  • ZINC04056529
  • Oprea1_053002

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
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.01 1
Brugia malayi Pre-SET motif family protein 0.0205 0.2032 0.4308
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.01 0.0138
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0443 0.4656 0.4645
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.7257 0.7251
Echinococcus granulosus Ankyrin 0.0086 0.0726 0.0707
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0216 0.0196
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.018 0.0247
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2032 0.4494
Echinococcus multilocularis jun protein 0.0443 0.4656 0.4645
Brugia malayi hypothetical protein 0.0348 0.3608 0.7727
Echinococcus granulosus jumonji domain containing protein 0.004 0.0216 0.0196
Echinococcus granulosus netrin receptor unc 5 0.0086 0.0722 0.0703
Plasmodium falciparum phd finger protein, putative 0.0029 0.0092 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0317 0.0586
Plasmodium vivax SET domain protein, putative 0.0029 0.01 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.0722 0.1466
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0086 0.0726 0.1001
Loa Loa (eye worm) hypothetical protein 0.0038 0.0192 0.0425
Loa Loa (eye worm) hypothetical protein 0.0086 0.0722 0.1596
Schistosoma mansoni hypothetical protein 0.0029 0.0092 0.0127
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.7257 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0317 0.07
Loa Loa (eye worm) hypothetical protein 0.0046 0.0285 0.063
Loa Loa (eye worm) hypothetical protein 0.0042 0.0239 0.0528
Schistosoma mansoni hypothetical protein 0.0034 0.0146 0.0201
Onchocerca volvulus 0.0029 0.01 0.0022
Schistosoma mansoni jun-related protein 0.036 0.3742 0.5157
Brugia malayi Bromodomain containing protein 0.0074 0.0589 0.1178
Onchocerca volvulus 0.0233 0.2349 0.6417
Echinococcus granulosus microtubule associated protein 2 0.0679 0.7257 0.7251
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0285 0.0265
Loa Loa (eye worm) hypothetical protein 0.0034 0.0146 0.0322
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.018 0.0159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0317 0.07
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.01 0.0138
Loa Loa (eye worm) hypothetical protein 0.004 0.0218 0.0482
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0443 0.4656 0.4645
Echinococcus granulosus jun protein 0.0443 0.4656 0.4645
Loa Loa (eye worm) hypothetical protein 0.0049 0.0318 0.0703
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0166 0.0145
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0285 0.0265
Loa Loa (eye worm) hypothetical protein 0.007 0.0543 0.1201
Loa Loa (eye worm) hypothetical protein 0.0431 0.4523 1
Schistosoma mansoni hypothetical protein 0.0086 0.0722 0.0995
Loa Loa (eye worm) hypothetical protein 0.0086 0.0726 0.1606
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0092 0.0127
Brugia malayi Bromodomain containing protein 0.0031 0.0118 0.0155
Schistosoma mansoni netrin receptor unc5 0.0086 0.0722 0.0995
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.018 0.0247
Schistosoma mansoni hypothetical protein 0.036 0.3742 0.5157
Echinococcus multilocularis peregrin 0.0031 0.0118 0.0098
Echinococcus multilocularis netrin receptor unc 5 0.0086 0.0722 0.0703
Brugia malayi Uncoordinated protein 44 0.0086 0.0722 0.1466
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0021 0.0029
Brugia malayi Bromodomain containing protein 0.0038 0.0192 0.0315
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0811 0.0792
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0928 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0811 0.0792
Brugia malayi Pre-SET motif family protein 0.0029 0.01 0.0116
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0092 0.0072
Loa Loa (eye worm) hypothetical protein 0.0029 0.0092 0.0204
Giardia lamblia PHD finger protein 15 0.0029 0.0092 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0285 0.0392
Brugia malayi jmjC domain containing protein 0.0094 0.0811 0.166
Echinococcus granulosus death domain containing protein 0.0086 0.0722 0.0703
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0599 0.0825
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0424 0.0404
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2344 0.5
Brugia malayi bZIP transcription factor family protein 0.0443 0.4656 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0166 0.0145
Schistosoma mansoni ankyrin 23/unc44 0.0086 0.0722 0.0995
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0088 0.0067
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0086 0.0722 0.0703
Brugia malayi PHD-finger family protein 0.0029 0.0092 0.01
Onchocerca volvulus 0.0348 0.3608 1
Brugia malayi Death domain containing protein 0.0086 0.0722 0.1466
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0092 0.0204
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0285 0.0392
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0146 0.0216
Onchocerca volvulus Netrin receptor homolog 0.0086 0.0722 0.1791
Brugia malayi Protein kinase domain containing protein 0.0086 0.0722 0.1466
Schistosoma mansoni bromodomain containing protein 0.0062 0.0462 0.0637
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0086 0.0722 0.0703
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0159 0.0138
Echinococcus multilocularis Ankyrin 0.0086 0.0726 0.0707
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0086 0.0722 0.1596
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.018 0.0397
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.01 0.0079
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0424 0.0404
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0092 0.0072
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0317 0.0586
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0429 0.0948
Brugia malayi jmjC domain containing protein 0.0037 0.018 0.0289
Echinococcus granulosus peregrin 0.0031 0.0118 0.0098

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.