Detailed information for compound 1741457

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.468 | Formula: C23H25FN4O3
  • H donors: 3 H acceptors: 4 LogP: 3.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cc1cnc2c(c1)[nH]c(=O)c(c2O)C(=O)NCCCN1CCCC1
  • InChi: 1S/C23H25FN4O3/c24-17-6-4-15(5-7-17)12-16-13-18-20(26-14-16)21(29)19(23(31)27-18)22(30)25-8-3-11-28-9-1-2-10-28/h4-7,13-14H,1-3,8-12H2,(H,25,30)(H2,27,29,31)
  • InChiKey: IGVFBVBNNDZUPO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Integrase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608

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 granulosus purine nucleoside phosphorylase 0.0499 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0499 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0499 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0499 1 0.5
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0499 1 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0499 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0499 1 0.5
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0499 1 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Trypanosoma brucei RNA helicase, putative 0.0125 0 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0499 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0499 1 1
Loa Loa (eye worm) hypothetical protein 0.0396 0.7237 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0499 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0499 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0499 1 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0499 1 0.5
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0499 1 0.5
Schistosoma mansoni purine nucleoside phosphorylase 0.0499 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.023 uM Inhibition of HIV1 integrase strand transfer activity ChEMBL. 23245515

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.