Detailed information for compound 994735

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.764 | Formula: C17H16ClNO8
  • H donors: 0 H acceptors: 4 LogP: 2.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)c(c(c1Cl)OC)[N+](=O)[O-])C
  • InChi: 1S/C17H16ClNO8/c1-7-5-8(20)6-9(24-2)17(7)16(21)10-13(27-17)11(18)15(26-4)12(19(22)23)14(10)25-3/h6-7H,5H2,1-4H3/t7-,17+/m1/s1
  • InChiKey: ZWTQIDRBERUTBW-GJEGPGMTSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Schistosoma mansoni hypothetical protein 0.0175 0.6999 0.9546
Brugia malayi bZIP transcription factor family protein 0.0083 0.2689 0.2689
Echinococcus multilocularis aryl hydrocarbon receptor 0.0136 0.516 0.7372
Schistosoma mansoni single-minded 0.0063 0.1755 0.2393
Echinococcus granulosus single minded 2 0.0047 0.0992 0.1417
Loa Loa (eye worm) hypothetical protein 0.012 0.4397 0.4397
Brugia malayi hypothetical protein 0.0065 0.1858 0.1858
Echinococcus multilocularis jun protein 0.0083 0.2689 0.3841
Loa Loa (eye worm) hypothetical protein 0.0081 0.2583 0.2583
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0119 0.4371 0.4371
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 1 1
Brugia malayi PAS domain containing protein 0.0063 0.1755 0.1755
Echinococcus granulosus geminin 0.0175 0.6999 1
Schistosoma mansoni hypothetical protein 0.0067 0.1964 0.2678
Onchocerca volvulus 0.0065 0.1858 0.3618
Mycobacterium ulcerans putative regulatory protein 0.0047 0.0992 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0183 0.7332 1
Schistosoma mansoni jun-related protein 0.0067 0.1964 0.2678
Echinococcus granulosus aryl hydrocarbon receptor 0.0136 0.516 0.7372
Schistosoma mansoni hypothetical protein 0.0175 0.6999 0.9546
Echinococcus multilocularis geminin 0.0175 0.6999 1
Brugia malayi bHLH-PAS transcription factor 0.0047 0.0992 0.0992
Loa Loa (eye worm) hypothetical protein 0.0135 0.5134 0.5134
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.2689 0.3841
Loa Loa (eye worm) hypothetical protein 0.0119 0.4371 0.4371
Onchocerca volvulus 0.0135 0.5134 1
Echinococcus multilocularis transfer RNA-Lys 0.0047 0.0992 0.1417
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.2689 0.3841
Echinococcus granulosus jun protein 0.0083 0.2689 0.3841
Onchocerca volvulus 0.0047 0.1017 0.1981

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.