Detailed information for compound 994302

Basic information

Technical information
  • TDR Targets ID: 994302
  • Name: [4-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)ph enyl] acetate
  • MW: 400.379 | Formula: C21H20O8
  • H donors: 0 H acceptors: 2 LogP: 2.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)c2oc(cc(=O)c2c(c1OC)OC)c1ccc(cc1)OC(=O)C
  • InChi: 1S/C21H20O8/c1-11(22)28-13-8-6-12(7-9-13)15-10-14(23)16-17(24-2)19(25-3)21(27-5)20(26-4)18(16)29-15/h6-10H,1-5H3
  • InChiKey: GPKHJXVBFIQGKO-UHFFFAOYSA-N  

Network

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Synonyms

  • [4-(5,6,7,8-tetramethoxy-4-oxo-chromen-2-yl)phenyl] acetate
  • acetic acid [4-(5,6,7,8-tetramethoxy-4-oxo-2-chromenyl)phenyl] ester
  • acetic acid [4-(4-keto-5,6,7,8-tetramethoxy-chromen-2-yl)phenyl] ester
  • [4-(5,6,7,8-tetramethoxy-4-oxo-chromen-2-yl)phenyl] ethanoate
  • 6959-55-3
  • AIDS125226
  • NSC66067
  • NCIOpen2_008152
  • NSC 66067
  • 2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
  • C14963
  • 4-(5,6,7,8-Tetramethoxy-4-oxo-4H-chromen-2-yl)phenyl acetate
  • AIDS-125226

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
Echinococcus multilocularis geminin 0.0267 1 1
Schistosoma mansoni ets-related 0.0164 0.5542 0.5542
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0742 0.134
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0057 0.088 0.1588
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0086 0.215 0.1514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0086 0.215 0.388
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0742 0.134
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0127 0.3917 0.7068
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0086 0.215 0.388
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0054 0.075 0.1353
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0127 0.3917 0.3424
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0742 0.134
Loa Loa (eye worm) hypothetical protein 0.0046 0.0408 0.0737
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0057 0.088 0.0141
Brugia malayi Ets-domain containing protein 0.0054 0.075 0.1353
Schistosoma mansoni hypothetical protein 0.0267 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.088 0.1588
Schistosoma mansoni hypothetical protein 0.0267 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0086 0.215 0.1514
Loa Loa (eye worm) voltage-gated potassium channel 0.0125 0.3824 0.69
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0086 0.215 0.215
Loa Loa (eye worm) fli-1 protein 0.0164 0.5542 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0742 0.134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0086 0.215 0.1514
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0127 0.3917 0.3424
Loa Loa (eye worm) hypothetical protein 0.0057 0.088 0.1588
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0086 0.215 0.215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0086 0.215 0.215
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0057 0.088 0.0141
Schistosoma mansoni gabp alpha 0.0054 0.075 0.075
Brugia malayi Ets-domain containing protein 0.0054 0.075 0.1353
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0127 0.3917 0.3917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0086 0.215 0.1514
Brugia malayi Fli-1 protein 0.0164 0.5542 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 3 ug ml-1 Cytotoxicity against human KB cells ChEMBL. 469554

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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