Detailed information for compound 1066280

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 237.191 | Formula: C9H8FN5O2
  • H donors: 3 H acceptors: 3 LogP: 0.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1nonc1N)\Nc1cccc(c1)F
  • InChi: 1S/C9H8FN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
  • InChiKey: GDNWRODWALZFSQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma japonicum IPR000898,Indoleamine 2,3-dioxygenase,domain-containing 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
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 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
Candida albicans similar to indoleamine 2,3-dioxygenases 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
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 hypothetical protein, conserved 0.001 0 0.5
Treponema pallidum DNA ligase (lig) 0.001 0 0.5
Brugia malayi hypothetical protein 0.0122 0.1338 0.1696
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0 0.5
Echinococcus multilocularis replication factor c subunit 1 0.001 0.00000034704 0.00000034704
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0 0.5
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.00000034704 0.5
Echinococcus granulosus replication factor c subunit 1 0.001 0.00000034704 0.00000043981
Schistosoma mansoni hypothetical protein 0.0667 0.7891 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0448 0.0568
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0448 0.0448
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0448 0.0568
Toxoplasma gondii ATPase, AAA family protein 0.001 0.00000034704 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1338 0.1696
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.00000034704 1
Schistosoma mansoni hypothetical protein 0.0667 0.7891 1
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0667 0.7891 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.00000034704 1
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0667 0.7891 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0448 0.0448
Brugia malayi indoleamine 2,3-dioxygenase 0.0667 0.7891 1
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0667 0.7891 0.7891
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.00000034704 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1338 0.1696
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0 0.5
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.00000034704 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.00000034704 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0448 0.0568
Giardia lamblia Replication factor C, subunit 1 0.001 0.00000034704 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0448 0.0568
Onchocerca volvulus Huntingtin homolog 0.0122 0.1338 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0448 0.0568
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0448 0.0568
Chlamydia trachomatis DNA ligase 0.001 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.001 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0448 0.0568
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0 0.5
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.00000034704 0.00000043981
Onchocerca volvulus Huntingtin homolog 0.0122 0.1338 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 270 nM Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry ChEMBL. 19507862
IC50 (binding) = 500 nM Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spectrophotometry ChEMBL. 19507862

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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