Detailed information for compound 993931

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.418 | Formula: C19H22N6
  • H donors: 1 H acceptors: 3 LogP: 2.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)c1cc(nc(n1)N)N1CCN(CC1)CC1CC1
  • InChi: 1S/C19H22N6/c20-12-14-3-5-16(6-4-14)17-11-18(23-19(21)22-17)25-9-7-24(8-10-25)13-15-1-2-15/h3-6,11,15H,1-2,7-10,13H2,(H2,21,22,23)
  • InChiKey: DLMAFAFZHGZDTJ-UHFFFAOYSA-N  

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
Onchocerca volvulus Chorion peroxidase homolog 0.0276 1 1
Schistosoma mansoni peroxidasin 0.0276 1 1
Schistosoma mansoni peroxidasin 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Onchocerca volvulus Peroxidasin homolog 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Onchocerca volvulus 0.0276 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0047 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0276 1 0.5
Brugia malayi Animal haem peroxidase family protein 0.0276 1 0.5
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0047 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Brugia malayi Peroxidasin 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0047 0 0.5
Brugia malayi Blistered cuticle protein 3 0.0276 1 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0276 1 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0276 1 0.5
Onchocerca volvulus Peroxidase homolog 0.0276 1 1
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Onchocerca volvulus Dual oxidase homolog 0.0276 1 1
Schistosoma mansoni cytochrome c oxidase subunit II 0.0127 0.3479 0.3479
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0155 0.4702 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Onchocerca volvulus Peroxidase homolog 0.0276 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0276 1 0.5
Onchocerca volvulus 0.0276 1 1
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0047 0 0.5
Brugia malayi Animal haem peroxidase family protein 0.0276 1 0.5
Brugia malayi Animal haem peroxidase family protein 0.0276 1 0.5
Echinococcus granulosus peroxidasin 0.0276 1 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0108 0.2665 1
Echinococcus multilocularis peroxidasin 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0276 1 0.5
Onchocerca volvulus 0.0276 1 1
Onchocerca volvulus Peroxidasin homolog 0.0276 1 1
Brugia malayi Animal haem peroxidase family protein 0.0276 1 0.5
Brugia malayi Animal haem peroxidase family protein 0.0276 1 0.5

Activities

Activity type Activity value Assay description Source Reference
pKb (functional) = 4.54 Antagonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpressing Gqi5 protein assessed as calcium flux by FLIPR assay ChEMBL. 18811133
pKb (functional) = 5.53 Antagonist activity at human histamine H4 receptor expressed in HEK293 cells coexpressing Gqi5 protein assessed as calcium flux by FLIPR assay ChEMBL. 18811133

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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