Detailed information for compound 1640108

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 281.313 | Formula: C15H15N5O
  • H donors: 2 H acceptors: 2 LogP: 1.75 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2c(n1)c1ccccc1o2
  • InChi: 1S/C15H15N5O/c16-15-18-12-10-3-1-2-4-11(10)21-13(12)14(19-15)20-7-8-5-9(20)6-17-8/h1-4,8-9,17H,5-7H2,(H2,16,18,19)/t8-,9-/m0/s1
  • InChiKey: ZHJXZLVRJAMDTF-IUCAKERBSA-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 histamine receptor H4 Starlite/ChEMBL References

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
Echinococcus multilocularis agrin 0.0322 0.02 0.0521
Echinococcus granulosus metabotropic glutamate receptor 5 0.0461 0.04 0.9335
Brugia malayi secreted modular calcium-binding protein 1 0.0322 0.02 0.02
Onchocerca volvulus 0.0472 0.0415 0.0219
Brugia malayi sodium-independent organic anion transporter family protein 0.0472 0.0415 0.0415
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0322 0.02 0.02
Brugia malayi hypothetical protein 0.0472 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0472 0.0415 0.0219
Onchocerca volvulus 0.0472 0.0415 0.0219
Loa Loa (eye worm) hypothetical protein 0.0472 0.0415 0.0219
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0472 0.0415 1
Onchocerca volvulus Putative organic anion transporter 0.0472 0.0415 0.0219
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0461 0.04 0.9335
Onchocerca volvulus 0.0472 0.0415 0.0219
Echinococcus granulosus follistatin 0.0322 0.02 0.0521
Loa Loa (eye worm) glutamate receptor 0.0375 0.0276 0.0077
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0472 0.0415 0.0219
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0426 0.035 0.8419
Schistosoma mansoni organic anion transporter 0.0472 0.0415 1
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0472 0.0415 1
Loa Loa (eye worm) hypothetical protein 0.7147 1 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.0472 0.0415 1
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0472 0.0415 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0322 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0472 0.0415 0.0219
Loa Loa (eye worm) hypothetical protein 0.0472 0.0415 0.0219
Onchocerca volvulus 0.0472 0.0415 0.0219
Loa Loa (eye worm) hypothetical protein 0.0472 0.0415 0.0219
Schistosoma mansoni metabotropic glutamate receptor 0.0314 0.0189 0.4539
Brugia malayi sodium-independent organic anion transporter family protein 0.0472 0.0415 0.0415
Echinococcus granulosus agrin 0.0322 0.02 0.0521
Echinococcus multilocularis follistatin 0.0322 0.02 0.0521
Loa Loa (eye worm) hypothetical protein 0.0472 0.0415 0.0219
Schistosoma mansoni follistatin 0.0322 0.02 0.4824
Brugia malayi sodium-independent organic anion transporter family protein 0.0472 0.0415 0.0415
Schistosoma mansoni agrin 0.0322 0.02 0.4824
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.034 0.0225 0.0225
Schistosoma mansoni organic anion transporter 0.0472 0.0415 1
Onchocerca volvulus Putative organic anion transporter 0.0472 0.0415 0.0219
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0322 0.02 0.02
Echinococcus multilocularis expressed protein 0.0322 0.02 0.0521
Toxoplasma gondii transporter, major facilitator family protein 0.0472 0.0415 1
Brugia malayi hypothetical protein 0.0472 0.0415 0.0415
Brugia malayi Metabotropic glutamate receptor precursor. 0.0375 0.0276 0.0276
Onchocerca volvulus 0.0472 0.0415 0.0219
Trypanosoma cruzi MFS transporter, putative 0.0472 0.0415 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0322 0.02 0.02
Brugia malayi SPARC precursor 0.0322 0.02 0.02
Onchocerca volvulus Putative organic anion transporter 0.7147 1 1
Loa Loa (eye worm) hypothetical protein 0.0461 0.04 0.0204

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 196 nM Displacement of [3H]histamine from recombinant human histamine H4 receptor ChEMBL. 21920744

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.