Detailed information for compound 1719670

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 643.626 | Formula: C26H42N7O10P
  • H donors: 4 H acceptors: 8 LogP: 0.41 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@@H]1CCCN1P(=O)(N[C@H](C(=O)OCC(C)(C)C)C)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(N)nc2OC
  • InChi: 1S/C26H42N7O10P/c1-14(21(35)41-12-25(2,3)4)31-44(38,33-10-8-9-15(33)22(36)40-7)42-11-16-18(34)26(5,37)23(43-16)32-13-28-17-19(32)29-24(27)30-20(17)39-6/h13-16,18,23,34,37H,8-12H2,1-7H3,(H,31,38)(H2,27,29,30)/t14-,15-,16+,18+,23+,26+,44?/m0/s1
  • InChiKey: LCKVDJRIUGJYDZ-ODKAYCGMSA-N  


Substructure search Similarity search

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
Brugia malayi Nuclear hormone receptor-like 1 0.0133 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0133 1 1
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0045 0.1277 0.1277
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0133 1 1
Echinococcus granulosus calcium activated potassium channel 0.0048 0.1613 0.0385
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Brugia malayi hypothetical protein 0.0063 0.3032 0.3032
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0133 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0133 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0063 0.3032 0.2012
Brugia malayi orphan nuclear receptor NR2E1 0.0063 0.3032 0.3032
Echinococcus granulosus potassium large conductance calcium activated 0.0048 0.1613 0.0385
Echinococcus multilocularis FTZ F1 alpha 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Loa Loa (eye worm) nuclear receptor NHR-67 0.0063 0.3032 0.3032
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.007 0.3778 0.3778
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0133 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.007 0.3778 0.2868
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0133 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0133 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0133 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0133 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0133 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.3032 0.2012
Brugia malayi Nuclear hormone receptor E75 0.0063 0.3032 0.3032
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0133 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0063 0.3032 0.2012
Loa Loa (eye worm) steroid hormone receptor 0.0133 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0133 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0133 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0063 0.3032 0.3032
Brugia malayi steroid hormone receptor 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.3032 0.2012
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0063 0.3032 0.2012
Brugia malayi photoreceptor-specific nuclear receptor 0.0133 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.3778 0.3778
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0133 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.3778 0.3778
Echinococcus granulosus nuclear receptor nhr 48 0.0063 0.3032 0.2012
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.3778 0.3778
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Schistosoma mansoni nuclear hormone receptor 0.0063 0.3032 0.2012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0133 1 1
Schistosoma mansoni thyroid hormone receptor 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.3778 0.3778
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0133 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0133 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0133 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0133 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0063 0.3032 0.2012
Schistosoma mansoni nuclear hormone receptor 0.0063 0.3032 0.2012
Schistosoma mansoni thyroid hormone receptor 0.0133 1 1
Brugia malayi hypothetical protein 0.0063 0.3032 0.3032
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0133 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.007 0.3778 0.2868
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0133 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0133 1 1
Onchocerca volvulus 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0133 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.3032 0.2012
Brugia malayi nuclear receptor NHR-67 0.0063 0.3032 0.3032
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0063 0.3032 0.3032
Echinococcus multilocularis ecdysone induced protein 78C 0.0133 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.007 0.3778 0.2868
Brugia malayi tailless protein 0.0063 0.3032 0.3032
Schistosoma mansoni RAR-like nuclear receptor 0.0133 1 1
Brugia malayi nuclear receptor NHR-88 0.0133 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0063 0.3032 0.3032
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus multilocularis calcium activated potassium channel 0.0048 0.1613 0.0385
Brugia malayi Nuclear hormone receptor E75 0.0063 0.3032 0.3032
Schistosoma mansoni nuclear receptor 0.0063 0.3032 0.2012
Loa Loa (eye worm) hypothetical protein 0.007 0.3778 0.3778
Schistosoma mansoni steroid hormone receptor ad4bp 0.0133 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0133 1 1
Brugia malayi conserved hypotetical protein 0.0063 0.3032 0.3032
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0133 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0133 1 1
Schistosoma mansoni nuclear receptor 0.0063 0.3032 0.2012
Schistosoma mansoni calcium-activated potassium channel 0.0048 0.1613 0.0385
Echinococcus granulosus FTZ F1 alpha 0.0133 1 1
Brugia malayi hypothetical protein 0.007 0.3778 0.3778
Echinococcus granulosus ecdysone induced protein 78C 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0133 1 1
Brugia malayi ecdysone receptor 0.0063 0.3032 0.3032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0133 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0133 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0133 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0133 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.3032 0.2012
Schistosoma mansoni nuclear hormone receptor 0.0133 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.3032 0.2012
Brugia malayi nuclear receptor RXR 0.007 0.3778 0.3778
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.3778 0.3778
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.3032 0.2012
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0133 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0133 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0063 0.3032 0.3032
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0133 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0133 1 1
Brugia malayi nuclear receptor NHR-88 0.0063 0.3032 0.3032
Schistosoma mansoni coup transcription factor 0.0133 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0133 1 1
Brugia malayi nuclear hormone receptor 0.0063 0.3032 0.3032
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0063 0.3032 0.2012
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.3778 0.3778
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.007 0.3778 0.2868
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Loa Loa (eye worm) DR-78 0.0063 0.3032 0.3032
Brugia malayi hypothetical protein 0.007 0.3778 0.3778
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0063 0.3032 0.2012
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Schistosoma mansoni zinc finger protein 0.0063 0.3032 0.2012
Brugia malayi nuclear receptor RXR 0.0063 0.3032 0.3032
Loa Loa (eye worm) nuclear hormone receptor 0.0063 0.3032 0.3032
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.3032 0.3032
Echinococcus multilocularis potassium large conductance calcium activated 0.0048 0.1613 0.0385
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0133 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0063 0.3032 0.2012
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0063 0.3032 0.2012
Brugia malayi nuclear hormone receptor 0.0133 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0133 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 100 uM Cytotoxicity against human HuH7 cells after 3 days ChEMBL. 22039920

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.