Detailed information for compound 1840134

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 646.63 | Formula: C25H43N8O10P
  • H donors: 5 H acceptors: 6 LogP: 1.12 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: [N-]=[N+]=N[C@]1(COP(=O)(N[C@H](C(=O)OCC(C)(C)C)C)N[C@H](C(=O)OCC(C)(C)C)C)O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
  • InChi: 1S/C25H43N8O10P/c1-14(20(36)40-11-23(3,4)5)29-44(39,30-15(2)21(37)41-12-24(6,7)8)42-13-25(31-32-27)18(35)17(34)19(43-25)33-10-9-16(26)28-22(33)38/h9-10,14-15,17-19,34-35H,11-13H2,1-8H3,(H2,26,28,38)(H2,29,30,39)/t14-,15-,17+,18-,19+,25+/m0/s1
  • InChiKey: VAXWJMYJWABBLA-DIUSAWSMSA-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
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0503 0.7757 0.7266
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0615 1 1
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0615 1 1
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0615 1 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0203 0.1797 0.1797
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0203 0.1797 0.1797
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0615 1 0.5
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0615 1 1
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0615 1 1
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0203 0.1797 0.1797
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0615 1 1
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0615 1 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0615 1 1
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0615 1 1
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0615 1 1
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0615 1 1
Trichomonas vaginalis DNA polymerase II, putative 0.0203 0.1797 0.1797
Loa Loa (eye worm) hypothetical protein 0.0203 0.1797 0.1797
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0615 1 1
Toxoplasma gondii DNA polymerase 0.0615 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 72 uM Cytotoxicity against human HuH7 cells ChEMBL. 24177359

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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