Detailed information for compound 920887

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.372 | Formula: C19H17N5
  • H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cc1nc2cn(nc2c(n1)N)c1ccccc1
  • InChi: 1S/C19H17N5/c1-13-7-9-14(10-8-13)11-17-21-16-12-24(15-5-3-2-4-6-15)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
  • InChiKey: JISSWVLGRLTEIG-UHFFFAOYSA-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
Entamoeba histolytica Flap nuclease, putative 0.0032 0.2612 0.8145
Onchocerca volvulus Bile acid receptor homolog 0.0007 0 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0032 0.2612 1
Brugia malayi XPG I-region family protein 0.0011 0.0361 0.1382
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0032 0.2612 0.8145
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0036 0.3124 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0036 0.3124 1
Brugia malayi Flap endonuclease-1 0.0032 0.2612 1
Echinococcus granulosus exonuclease 1 0.0011 0.0361 0.1156
Echinococcus granulosus flap endonuclease GEN 1 0.0011 0.0361 0.1156
Plasmodium vivax DNA repair protein RAD2, putative 0.0036 0.3124 1
Echinococcus multilocularis exonuclease 1 0.0011 0.0361 0.1156
Entamoeba histolytica DNA-repair protein, putative 0.0036 0.3124 1
Schistosoma mansoni hypothetical protein 0.005 0.4584 0.4584
Trypanosoma brucei RNA helicase, putative 0.01 1 1
Onchocerca volvulus 0.0007 0 0.5
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0036 0.3124 1
Schistosoma mansoni exonuclease 0.0011 0.0361 0.0361
Plasmodium vivax flap endonuclease 1, putative 0.0032 0.2612 0.8145
Brugia malayi XPG N-terminal domain containing protein 0.0031 0.2519 0.9644
Schistosoma mansoni flap endonuclease-1 0.0027 0.2069 0.2069
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0036 0.3124 0.3124
Echinococcus granulosus flap endonuclease 1 0.0032 0.2612 0.836
Plasmodium falciparum DNA repair protein RAD2, putative 0.0036 0.3124 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0032 0.2612 0.2335
Loa Loa (eye worm) flap endonuclease-1 0.0032 0.2612 0.836
Onchocerca volvulus Protein ultraspiracle homolog 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.3124 1
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0036 0.3124 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0032 0.2612 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0361 0.1156
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0007 0 0.5
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family member 0.0011 0.0361 0.0361
Loa Loa (eye worm) XPG I-region family protein 0.0011 0.0361 0.1156
Echinococcus multilocularis flap endonuclease 1 0.0032 0.2612 0.836
Trichomonas vaginalis flap endonuclease-1, putative 0.0032 0.2612 0.8145
Plasmodium falciparum flap endonuclease 1 0.0032 0.2612 0.8145
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0032 0.2612 1
Echinococcus multilocularis flap endonuclease GEN 1 0.0011 0.0361 0.1156

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 21 % Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP level at 1 uM by scintillation counting analysis ChEMBL. 25063944
Inhibition (binding) = 26 % Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells at 1 uM by scintillation counting analysis relative to control ChEMBL. 25063944
Inhibition (binding) = 38 % Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells at 1 uM by scintillation counting analysis relative to control ChEMBL. 25063944
Inhibition (binding) = 39 % Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells at 1 uM by scintillation counting analysis relative to control ChEMBL. 25063944

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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