Detailed information for compound 876130

Basic information

Technical information
  • TDR Targets ID: 876130
  • Name: 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-yle thyl)thieno[3,2-e]pyrimidin-4-one
  • MW: 367.465 | Formula: C20H21N3O2S
  • H donors: 0 H acceptors: 2 LogP: 3.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCCC1)Cn1cnc2c(c1=O)c(cs2)c1ccc(cc1)C
  • InChi: 1S/C20H21N3O2S/c1-14-5-7-15(8-6-14)16-12-26-19-18(16)20(25)23(13-21-19)11-17(24)22-9-3-2-4-10-22/h5-8,12-13H,2-4,9-11H2,1H3
  • InChiKey: GLDIXYQWTJNSSY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-methylphenyl)-3-[2-oxo-2-(1-piperidyl)ethyl]thieno[3,2-e]pyrimidin-4-one
  • 5-(4-methylphenyl)-3-[2-oxo-2-(1-piperidyl)ethyl]-4-thieno[3,2-e]pyrimidinone
  • 3-(2-keto-2-piperidino-ethyl)-5-(4-methylphenyl)thieno[3,2-e]pyrimidin-4-one
  • 5-(4-methylphenyl)-3-(2-oxo-2-piperidin-1-yl-ethyl)thieno[3,2-e]pyrimidin-4-one
  • 3-(2-Oxo-2-piperidin-1-yl-ethyl)-5-p-tolyl-3H-thieno[2,3-d]pyrimidin-4-one
  • BAS 05171507
  • Oprea1_321737

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
Loa Loa (eye worm) hypothetical protein 0.0031 0.0461 0.0429
Schistosoma mansoni hypothetical protein 0.0033 0.0536 0.0622
Echinococcus multilocularis activated cdc42 kinase 1 0.0205 0.6862 0.6862
Loa Loa (eye worm) variant SH3 domain-containing protein 0.003 0.0436 0.0404
Echinococcus granulosus tyrosine protein kinase Fyn 0.0077 0.2149 0.2149
Schistosoma mansoni tyrosine kinase 0.0031 0.0461 0.0534
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Brugia malayi Protein kinase domain containing protein 0.0031 0.0461 0.0429
Echinococcus granulosus NCK adaptor protein 0.003 0.0436 0.0436
Loa Loa (eye worm) hypothetical protein 0.0241 0.8191 0.8185
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Echinococcus granulosus tyrosine protein kinase Fyn 0.0077 0.2149 0.2149
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Echinococcus multilocularis growth factor receptor bound protein 2 0.003 0.0436 0.0436
Echinococcus multilocularis MAM 0.0033 0.0536 0.0536
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0077 0.2149 0.2149
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0043 0.0901 0.0901
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0128 0.4014 0.4014
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0043 0.0901 0.0901
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0077 0.2149 0.2149
Loa Loa (eye worm) hypothetical protein 0.0105 0.317 0.3147
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Brugia malayi Immunoglobulin I-set domain containing protein 0.0131 0.4141 0.4122
Echinococcus granulosus activated cdc42 kinase 1 0.0205 0.6862 0.6862
Brugia malayi SH2 domain containing protein 0.0031 0.0461 0.0429
Brugia malayi Variant SH3 domain containing protein 0.003 0.0436 0.0404
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0031 0.0461 0.0461
Onchocerca volvulus 0.0038 0.0741 1
Echinococcus granulosus activated cdc42 kinase 1 0.0205 0.6862 0.6862
Schistosoma mansoni growth factor receptor-bound protein 0.0032 0.0504 0.0585
Loa Loa (eye worm) hypothetical protein 0.0033 0.0536 0.0505
Echinococcus granulosus tyrosine protein kinase Blk 0.0065 0.1709 0.1709
Schistosoma mansoni tyrosine kinase 0.0077 0.2149 0.2492
Loa Loa (eye worm) TK protein kinase 0.0047 0.1043 0.1013
Brugia malayi Protein kinase domain containing protein 0.0205 0.6862 0.6851
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0026 0.0293 0.026
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Brugia malayi SRC-1 0.0077 0.2149 0.2122
Echinococcus granulosus tyrosine protein kinase shark 0.0031 0.0461 0.0461
Echinococcus granulosus fibroblast growth factor receptor 4 0.0128 0.4014 0.4014
Schistosoma mansoni tyrosine kinase 0.0033 0.0529 0.0613
Echinococcus granulosus tyrosine protein kinase Src42A 0.0077 0.2149 0.2149
Echinococcus multilocularis tyrosine protein kinase HCK 0.0047 0.1043 0.1043
Loa Loa (eye worm) sex muscle abnormal protein 5 0.003 0.0436 0.0404
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0235 0.0272
Brugia malayi Protein kinase domain containing protein 0.0031 0.0461 0.0429
Echinococcus multilocularis roundabout 2 0.0023 0.0161 0.0161
Echinococcus multilocularis c src tyrosine kinase 0.0043 0.0901 0.0901
Echinococcus granulosus tyrosine protein kinase HCK 0.0047 0.1043 0.1043
Echinococcus granulosus tyrosine protein kinase Lyn 0.0077 0.2168 0.2168
Schistosoma mansoni cell adhesion molecule 0.0019 0.0033 0.0039
Brugia malayi SH2 domain containing protein 0.0031 0.0461 0.0429
Echinococcus granulosus c src tyrosine kinase 0.0043 0.0901 0.0901
Echinococcus granulosus growth factor receptor bound protein 2 0.0032 0.0504 0.0504
Brugia malayi Protein kinase domain containing protein 0.0031 0.0461 0.0429
Loa Loa (eye worm) hypothetical protein 0.0205 0.6862 0.6851
Loa Loa (eye worm) TK/ABL protein kinase 0.0271 0.9289 0.9286
Echinococcus multilocularis tyrosine protein kinase shark 0.0031 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0077 0.2149 0.2149
Echinococcus granulosus MAM 0.0033 0.0536 0.0536
Echinococcus multilocularis protein KINase family member (kin 25) 0.0087 0.2516 0.2516
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0031 0.0461 0.0461
Echinococcus granulosus roundabout 2 0.0023 0.0161 0.0161
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0077 0.2149 0.2149
Entamoeba histolytica protein kinase, putative 0.0047 0.1043 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0077 0.2149 0.2149
Schistosoma mansoni adapter molecule crk 0.003 0.0436 0.0506
Loa Loa (eye worm) hypothetical protein 0.003 0.0436 0.0404
Loa Loa (eye worm) hypothetical protein 0.0278 0.9536 0.9534
Schistosoma mansoni nephrin 0.0023 0.0161 0.0186
Brugia malayi Sex muscle abnormal protein 5 0.003 0.0436 0.0404
Loa Loa (eye worm) TK protein kinase 0.0065 0.1709 0.1681
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0065 0.1709 0.1709
Brugia malayi protein-tyrosine kinase 0.0065 0.1709 0.1681
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0077 0.2149 0.2149
Echinococcus multilocularis tyrosine protein kinase Srms 0.0065 0.1709 0.1709
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0077 0.2149 0.2149
Brugia malayi Tyrosine-protein kinase abl-1 0.0135 0.4276 0.4257
Echinococcus granulosus tyrosine protein kinase Src42A 0.0054 0.1312 0.1312
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0195 0.6493 0.6481
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0077 0.2149 0.2149
Loa Loa (eye worm) hypothetical protein 0.0074 0.2051 0.2025
Loa Loa (eye worm) TK protein kinase 0.0291 1 1
Echinococcus granulosus tyrosine kinase 0.0065 0.1709 0.1709
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0077 0.2149 0.2149
Echinococcus granulosus tyrosine protein kinase Fyn 0.0077 0.2149 0.2149
Brugia malayi Tyrosine-protein kinase abl-1 0.0148 0.4783 0.4766
Loa Loa (eye worm) hypothetical protein 0.0192 0.6397 0.6385
Echinococcus granulosus tyrosine protein kinase Srms 0.0031 0.0461 0.0461
Schistosoma mansoni tyrosine kinase 0.0128 0.4014 0.4655
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0031 0.0461 0.4331
Brugia malayi hypothetical protein 0.0033 0.0536 0.0505
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0077 0.2149 0.2149
Echinococcus multilocularis tyrosine kinase 0.0031 0.0461 0.0461
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0043 0.0901 0.1044
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0054 0.1312 0.1312
Schistosoma mansoni tyrosine kinase 0.0043 0.0901 0.1044
Echinococcus granulosus tyrosine kinase 0.0031 0.0461 0.0461
Schistosoma mansoni growth factor receptor-bound protein 0.003 0.0436 0.0506
Brugia malayi Protein kinase domain containing protein 0.0031 0.0461 0.0429
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Loa Loa (eye worm) hypothetical protein 0.0087 0.2516 0.2491
Echinococcus multilocularis tyrosine protein kinase 0.0291 1 1
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0271 0.9289 0.9289
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0065 0.1709 0.1709
Loa Loa (eye worm) TK/ALK protein kinase 0.0287 0.9861 0.9861
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429
Schistosoma mansoni nck2/grb4 0.003 0.0436 0.0506
Brugia malayi hypothetical protein 0.0031 0.0461 0.0429
Echinococcus granulosus tyrosine protein kinase ABL1 0.0271 0.9289 0.9289
Echinococcus multilocularis transfer RNA-Thr 0.0205 0.6862 0.6862
Echinococcus granulosus tyrosine protein kinase Src64B 0.0077 0.2149 0.2149
Schistosoma mansoni tyrosine kinase 0.0087 0.2516 0.2917
Brugia malayi Protein kinase domain containing protein 0.0287 0.9865 0.9864
Loa Loa (eye worm) hypothetical protein 0.0033 0.0536 0.0505
Echinococcus multilocularis tyrosine protein kinase Blk 0.0065 0.1709 0.1709
Brugia malayi Protein kinase domain containing protein 0.0031 0.0461 0.0429
Loa Loa (eye worm) hypothetical protein 0.0074 0.2051 0.2025
Schistosoma mansoni hypothetical protein 0.0033 0.0536 0.0622
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0128 0.4014 0.4014
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0087 0.2516 0.2516
Echinococcus multilocularis tyrosine protein kinase Abl 0.0135 0.4276 0.4276
Loa Loa (eye worm) hypothetical protein 0.0033 0.0536 0.0505
Echinococcus granulosus tyrosine protein kinase 0.0291 1 1
Loa Loa (eye worm) SRC-1 0.0077 0.2149 0.2122
Brugia malayi Protein kinase domain containing protein 0.0195 0.6493 0.6481
Onchocerca volvulus 0.0033 0.0536 0.2691
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.003 0.0436 0.0506
Schistosoma mansoni tyrosine kinase 0.0077 0.2149 0.2492
Schistosoma mansoni tyrosine kinase 0.0043 0.0901 0.1044
Brugia malayi Immunoglobulin I-set domain containing protein 0.0026 0.0293 0.026
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0128 0.4014 0.4014
Schistosoma mansoni tyrosine kinase 0.0253 0.8623 1
Schistosoma mansoni serine/threonine protein kinase 0.0195 0.6493 0.7529
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0077 0.2149 0.2149
Loa Loa (eye worm) TK protein kinase 0.0131 0.4141 0.4122
Echinococcus multilocularis NCK adaptor protein 0.0032 0.0504 0.0504
Brugia malayi Variant SH3 domain containing protein 0.003 0.0436 0.0404
Loa Loa (eye worm) TK/FER protein kinase 0.0031 0.0461 0.0429

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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