Detailed information for compound 223233

Basic information

Technical information
  • TDR Targets ID: 223233
  • Name: Taxuspine B
  • MW: 622.702 | Formula: C35H42O10
  • H donors: 1 H acceptors: 6 LogP: 3.35 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)/C/2=C/[C@H](OC(=O)C)[C@H]3C(C(=C(C)[C@H](C3)OC(=O)C)[C@H](C(=O)[C@@]1(C)C2)O)(C)C
  • InChi: 1S/C35H42O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,40H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1
  • InChiKey: RWMXWLFXARITCC-CRMVJMMESA-N  


Substructure search Similarity search

Network

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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
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0382 1 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0382 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0382 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0382 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0382 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0676 0.0676
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0676 0.0676
Loa Loa (eye worm) hypothetical protein 0.005 0.0676 0.0676
Treponema pallidum ATP-dependent RNA helicase 0.0382 1 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0382 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0382 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0382 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0382 1 1
Plasmodium vivax RNA helicase-1, putative 0.0382 1 1
Loa Loa (eye worm) hypothetical protein 0.0382 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0382 1 1
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0033 0.0191 0.0191
Plasmodium falciparum eukaryotic initiation factor 4A 0.0382 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.0034 0.0228 0.0228
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0382 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0382 1 1
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0382 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0676 0.0676
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0033 0.0191 0.0191
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0382 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0382 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0382 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0382 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0382 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0382 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0228 0.0038

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 219 % Vincristine (VCR) accumulation in multidrug resistant human ovarian cancer 2780 AD cells at a concentration 1 microg/mL ChEMBL. No reference
Control (functional) = 713 % Vincristine (VCR) accumulation in multidrug resistant human ovarian cancer 2780 AD cells at a concentration 10 microg/mL ChEMBL. No reference
IC50 (functional) > 10 ug ml-1 Cytotoxicity against murine leukemia L1210 cells ChEMBL. No reference
IC50 (functional) > 10 ug ml-1 Cytotoxicity against human epidermoid carcinoma KB cells ChEMBL. No reference
IC50 (functional) > 10 ug ml-1 Cytotoxicity against murine leukemia L1210 cells ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23

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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