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

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

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.

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