Detailed information for compound 1506875

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.266 | Formula: C16H11F3N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c([nH]1)ccc(c2)OC(F)(F)F)Cc1cccnc1
  • InChi: 1S/C16H11F3N2O2/c17-16(18,19)23-12-3-4-13-11(7-12)8-14(21-13)15(22)6-10-2-1-5-20-9-10/h1-5,7-9,21H,6H2
  • InChiKey: YNJAHHIWXOOGJE-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
Homo sapiens indoleamine 2,3-dioxygenase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR000898,Indoleamine 2,3-dioxygenase,domain-containing Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma japonicum ko:K00463 indoleamine 2,3-dioxygenase, putative Get druggable targets OG5_130288 All targets in OG5_130288
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 Get druggable targets OG5_130288 All targets in OG5_130288
Candida albicans similar to indoleamine 2,3-dioxygenases Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130288 All targets in OG5_130288
Echinococcus granulosus indoleamine 23 dioxygenase 2 Get druggable targets OG5_130288 All targets in OG5_130288
Loa Loa (eye worm) indoleamine 2,3-dioxygenase Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130288 All targets in OG5_130288
Candida albicans similar to indoleamine 2,3-dioxygenases Get druggable targets OG5_130288 All targets in OG5_130288
Brugia malayi indoleamine 2,3-dioxygenase Get druggable targets OG5_130288 All targets in OG5_130288

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 indoleamine 23 dioxygenase 2 0.0667 0.5197 0.5
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0667 0.5197 1
Schistosoma mansoni hypothetical protein 0.0667 0.5197 1
Brugia malayi indoleamine 2,3-dioxygenase 0.0667 0.5197 1
Schistosoma mansoni hypothetical protein 0.0667 0.5197 1
Brugia malayi Nuclear hormone receptor-like 1 0.054 0.338 0.1362
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.052 0.3094 0.0161
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0667 0.5197 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13.1 uM Inhibition of human IDO activity by spectrophotometry ChEMBL. 21269836
Inhibition (binding) = 12 % Inhibition of mouse IDO expressed in mouse P815B cells assessed as tryptophan degradation at 20 uM ChEMBL. 21269836

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

1 literature reference was collected for this gene.

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