Detailed information for compound 1919379

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 192.241 | Formula: C8H8N4S
  • H donors: 3 H acceptors: 1 LogP: 0.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=S)Nc1cccc(c1)C#N
  • InChi: 1S/C8H8N4S/c9-5-6-2-1-3-7(4-6)11-8(13)12-10/h1-4H,10H2,(H2,11,12,13)
  • InChiKey: YFKHSXXWOSKROA-UHFFFAOYSA-N  

Network

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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
Candida albicans similar to indoleamine 2,3-dioxygenases 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
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
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
Schistosoma mansoni hypothetical protein 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
Brugia malayi indoleamine 2,3-dioxygenase Get druggable targets OG5_130288 All targets in OG5_130288
Schistosoma japonicum IPR000898,Indoleamine 2,3-dioxygenase,domain-containing 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
Brugia malayi Cytochrome P450 family protein 0.003 0.0307 0.0184
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0268 0.3926 0.3926
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0125 0.0125
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0125 0.0125
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0667 1 0.5
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0667 1 0.5
Trypanosoma brucei cytochrome P450, putative 0.0018 0.0125 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0125 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0307 0.0307
Leishmania major cytochrome p450-like protein 0.0018 0.0125 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0125 0.0125
Brugia malayi follicle stimulating hormone receptor 0.0268 0.3926 0.385
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0667 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0018 0.0125 0.5
Schistosoma mansoni hypothetical protein 0.0667 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0018 0.0125 0.5
Schistosoma mansoni hypothetical protein 0.0667 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.8 uM Inhibition of recombinant N-terminal His-tagged human IDO (Ala2 to Gly403) overexpressed in Escherichia coli BL21 AI using L-tryptophan as substrate assessed as formation of kynurenine incubated for 5 mins in presence of p-dimethylaminobenzaldehyde ChEMBL. 24878638

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.

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