Detailed information for compound 864798

Basic information

Technical information
  • TDR Targets ID: 864798
  • Name: 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-7-methyl -5-oxo-4H-pyrano[5,6-c]pyran-3-carbonitrile
  • MW: 340.33 | Formula: C18H16N2O5
  • H donors: 2 H acceptors: 3 LogP: 2.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1O)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N
  • InChi: 1S/C18H16N2O5/c1-3-23-13-7-10(4-5-12(13)21)15-11(8-19)17(20)25-14-6-9(2)24-18(22)16(14)15/h4-7,15,21H,3,20H2,1-2H3
  • InChiKey: CXQOLGOHAUGGBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-7-methyl-5-oxo-4H-pyrano[5,6-c]pyran-3-carbonitrile
  • 2-amino-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-7-methyl-4H-pyrano[5,6-c]pyran-3-carbonitrile
  • BAS 07416779
  • Oprea1_635772
  • SS-0795

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 cathepsin b 0.0136 0.342 0.3826
Echinococcus granulosus retinoic acid receptor rxr beta a 0.014 0.3566 0.4019
Echinococcus granulosus cathepsin b 0.0136 0.342 0.3826
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0256 0.8105 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0136 0.342 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0516 0.0636
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0136 0.342 0.431
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0304 1 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0234 0.7253 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0304 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0136 0.342 0.4219
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0256 0.8105 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0516 0.0636
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0136 0.342 0.431
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0136 0.342 0.431
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0516 0.0636
Brugia malayi Cell division protein ftsZ 0.0146 0.3807 0.4696
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0516 0.0636
Brugia malayi cathepsin B-like cysteine proteinase 0.0136 0.342 0.4219
Schistosoma mansoni retinoic acid receptor RXR 0.014 0.3566 0.4527
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0136 0.342 0.431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0256 0.8105 1
Echinococcus granulosus cathepsin b 0.0136 0.342 0.3826
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.2714 0.2896
Brugia malayi TAR-binding protein 0.0062 0.0516 0.0636
Brugia malayi RNA binding protein 0.0062 0.0516 0.0636
Mycobacterium ulcerans cell division protein FtsZ 0.0304 1 0.5
Brugia malayi Cell division protein ftsZ 0.015 0.3971 0.4899
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0256 0.8105 1
Treponema pallidum cell division protein FtsZ 0.0304 1 0.5
Echinococcus multilocularis cathepsin b 0.0136 0.342 0.3826

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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