Detailed information for compound 1752614

Basic information

Technical information
  • TDR Targets ID: 1752614
  • Name: 4-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl ]-7-methylchromen-2-one
  • MW: 392.448 | Formula: C23H24N2O4
  • H donors: 0 H acceptors: 2 LogP: 2.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)N1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2)C
  • InChi: 1S/C23H24N2O4/c1-16-7-8-18-17(14-22(26)29-21(18)13-16)15-24-9-11-25(12-10-24)23(27)19-5-3-4-6-20(19)28-2/h3-8,13-14H,9-12,15H2,1-2H3
  • InChiKey: MSVGHXATWSYINO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one
  • 4-[[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-7-methyl-2-chromenone
  • 4-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-7-methyl-coumarin
  • 4-[[4-(2-methoxyphenyl)carbonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one
  • D222-0206
  • NCGC00117145-01

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 0.0692 0.8117 0.8117
Onchocerca volvulus 0.0117 0.1129 0.5
Brugia malayi Carboxylesterase family protein 0.0692 0.8117 1
Onchocerca volvulus 0.0117 0.1129 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Echinococcus granulosus para nitrobenzyl esterase 0.0117 0.1129 0.1129
Echinococcus multilocularis tyrosine protein kinase Abl 0.0345 0.3904 0.3904
Schistosoma mansoni tyrosine kinase 0.0027 0.0041 0.0042
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0117 0.1129 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0027 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Loa Loa (eye worm) carboxylesterase 0.0117 0.1129 0.1129
Schistosoma mansoni tyrosine kinase 0.0027 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0847 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0027 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0027 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0117 0.1129 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0117 0.1129 0.1146
Echinococcus multilocularis carboxylesterase 5A 0.0692 0.8117 0.8117
Mycobacterium tuberculosis Carboxylesterase LipT 0.0117 0.1129 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.0834 0.9853 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0027 0.0041 0.0041
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0117 0.1129 0.5
Echinococcus multilocularis acetylcholinesterase 0.0692 0.8117 0.8117
Loa Loa (eye worm) TK/ABL protein kinase 0.0847 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0117 0.1129 0.1146
Mycobacterium ulcerans carboxylesterase, LipT 0.0117 0.1129 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0117 0.1129 0.1129
Loa Loa (eye worm) hypothetical protein 0.0321 0.3613 0.3613
Brugia malayi Carboxylesterase family protein 0.0692 0.8117 1
Echinococcus granulosus carboxylesterase 5A 0.0692 0.8117 0.8117
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0041 0.0041
Echinococcus multilocularis para nitrobenzyl esterase 0.0117 0.1129 0.1129
Schistosoma mansoni gliotactin 0.0117 0.1129 0.1146
Schistosoma mansoni tyrosine kinase 0.0027 0.0041 0.0042
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0027 0.0041 0.0041
Echinococcus granulosus acetylcholinesterase 0.0692 0.8117 0.8117
Loa Loa (eye worm) carboxylesterase 0.0117 0.1129 0.1129
Brugia malayi hypothetical protein 0.0117 0.1129 0.1391
Echinococcus multilocularis c src tyrosine kinase 0.0027 0.0041 0.0041
Echinococcus granulosus neuroligin 0.0117 0.1129 0.1129
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0117 0.1129 0.1146
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0027 0.0041 0.0041
Schistosoma mansoni acetylcholinesterase 0.0117 0.1129 0.1146
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0027 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0692 0.8117 0.8239
Loa Loa (eye worm) hypothetical protein 0.0117 0.1129 0.1129
Brugia malayi SRC-1 0.0027 0.0041 0.0051
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0027 0.0041 0.0041
Onchocerca volvulus 0.0117 0.1129 0.5
Loa Loa (eye worm) hypothetical protein 0.0692 0.8117 0.8117
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0117 0.1129 0.1146
Echinococcus multilocularis neuroligin 0.0117 0.1129 0.1129
Brugia malayi Carboxylesterase family protein 0.0117 0.1129 0.1391
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Src42A 0.0027 0.0041 0.0041
Echinococcus multilocularis BC026374 protein (S09 family) 0.0117 0.1129 0.1129
Echinococcus granulosus c src tyrosine kinase 0.0027 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0027 0.0041 0.0041
Onchocerca volvulus 0.0117 0.1129 0.5
Loa Loa (eye worm) SRC-1 0.0027 0.0041 0.0041
Trichomonas vaginalis spcc417.12 protein, putative 0.0117 0.1129 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0027 0.0041 0.0041
Echinococcus granulosus BC026374 protein S09 family 0.0117 0.1129 0.1129
Echinococcus granulosus acetylcholinesterase 0.0692 0.8117 0.8117
Brugia malayi Tyrosine-protein kinase abl-1 0.0345 0.3904 0.481
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0027 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Src64B 0.0027 0.0041 0.0041
Echinococcus multilocularis acetylcholinesterase 0.0692 0.8117 0.8117
Loa Loa (eye worm) carboxylesterase 0.0692 0.8117 0.8117
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0117 0.1129 0.1146
Schistosoma mansoni tyrosine kinase 0.0027 0.0041 0.0042
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0027 0.0041 0.0041
Brugia malayi Carboxylesterase family protein 0.0117 0.1129 0.1391
Brugia malayi Tyrosine-protein kinase abl-1 0.0513 0.5948 0.7328
Onchocerca volvulus 0.0117 0.1129 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0117 0.1129 0.1129
Loa Loa (eye worm) acetylcholinesterase 1 0.0692 0.8117 0.8117
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0027 0.0041 0.0041
Brugia malayi Carboxylesterase family protein 0.0117 0.1129 0.1391
Brugia malayi Carboxylesterase family protein 0.0117 0.1129 0.1391
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0027 0.0041 0.0041

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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