Detailed information for compound 1465315

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.502 | Formula: C19H26N4S
  • H donors: 0 H acceptors: 2 LogP: 4.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1nnc(s1)N1CCC(CC1)N1CCCCC1
  • InChi: 1S/C19H26N4S/c1-15-5-7-16(8-6-15)18-20-21-19(24-18)23-13-9-17(10-14-23)22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3
  • InChiKey: RSCFKVDDYPFZTI-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 histamine receptor H3 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
Brugia malayi FXNA 0.0133 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0063 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0133 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0133 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0133 0.0867 0.0867
Brugia malayi nicalin 0.0133 0.0867 0.0867
Onchocerca volvulus 0.0116 0.0694 0.0746
Loa Loa (eye worm) hypothetical protein 0.0068 0.0196 0.0196
Brugia malayi leucyl aminopeptidase 0.0133 0.0867 0.0867
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1022 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0354 0.0354
Trypanosoma cruzi glutaminyl cyclase, putative 0.0133 0.0867 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.0867 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0133 0.0867 0.0931
Trypanosoma brucei glutaminyl cyclase, putative 0.0133 0.0867 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.0144 0.0144
Echinococcus multilocularis plexin a4 0.0137 0.0913 0.1519
Schistosoma mansoni plexin 0.0068 0.0196 0.0326
Echinococcus granulosus roundabout 2 0.0099 0.0518 0.0862
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0133 0.0867 0.5
Echinococcus granulosus neuroglian 0.0078 0.0308 0.0513
Echinococcus granulosus twitchin 0.0078 0.0308 0.0513
Loa Loa (eye worm) plexin A 0.0137 0.0913 0.0913
Schistosoma mansoni hypothetical protein 0.0068 0.0196 0.0326
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0063 0.0144 0.024
Onchocerca volvulus Glutaminyl cyclase homolog 0.0633 0.6007 0.6451
Schistosoma mansoni Fxna peptidase (M28 family) 0.0133 0.0867 0.1443
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0083 0.0354 0.0588
Brugia malayi plexin A 0.0137 0.0913 0.0913
Loa Loa (eye worm) hypothetical protein 0.0063 0.0144 0.0144
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0133 0.0867 0.1443
Onchocerca volvulus 0.0133 0.0867 0.0931
Echinococcus granulosus defective proboscis extension response 0.0063 0.0144 0.024
Mycobacterium ulcerans hypothetical protein 0.0133 0.0867 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0063 0.0144 0.024
Echinococcus multilocularis roundabout 2 0.0099 0.0518 0.0862
Schistosoma mansoni vesicular amine transporter 0.0063 0.0144 0.024
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0133 0.0867 0.1443
Loa Loa (eye worm) hypothetical protein 0.0063 0.0144 0.0144
Echinococcus multilocularis Immunoglobulin 0.0063 0.0144 0.024
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0133 0.0867 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0144 0.0144
Leishmania major hypothetical protein, conserved 0.0133 0.0867 0.5
Onchocerca volvulus 0.0927 0.9031 0.9698
Onchocerca volvulus Fxna peptidase homolog 0.0133 0.0867 0.0931
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0133 0.0867 0.1443
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0133 0.0867 0.1443
Schistosoma mansoni cell adhesion molecule 0.0083 0.0354 0.0588
Brugia malayi hypothetical protein 0.0063 0.0144 0.0144
Schistosoma mansoni nephrin 0.0078 0.0308 0.0513
Toxoplasma gondii peptidase, M28 family protein 0.0133 0.0867 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0633 0.6007 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0133 0.0867 0.5
Toxoplasma gondii hypothetical protein 0.0133 0.0867 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0133 0.0867 0.1443
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0133 0.0867 0.1443
Brugia malayi Plexin repeat family protein 0.0116 0.0694 0.0694
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0633 0.6007 1
Onchocerca volvulus Fxna peptidase homolog 0.0133 0.0867 0.0931
Echinococcus granulosus Immunoglobulin 0.0063 0.0144 0.024
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0633 0.6007 1
Echinococcus multilocularis neuroglian 0.0078 0.0308 0.0513
Loa Loa (eye worm) hypothetical protein 0.0099 0.0518 0.0518
Loa Loa (eye worm) hypothetical protein 0.0633 0.6007 0.6007
Onchocerca volvulus Tyrosine kinase homolog 0.0955 0.9312 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0518 0.0518
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0063 0.0144 0.024
Schistosoma mansoni nicalin (M28 family) 0.0133 0.0867 0.1443
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0133 0.0867 0.1443
Loa Loa (eye worm) hypothetical protein 0.0063 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0116 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0133 0.0867 0.0867
Brugia malayi Peptidase family M28 containing protein 0.0633 0.6007 0.6007
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0133 0.0867 0.5
Schistosoma mansoni plexin 0.0116 0.0694 0.1156
Brugia malayi Fibronectin type III domain containing protein 0.0063 0.0144 0.0144
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.0867 0.5
Echinococcus granulosus plexin a4 0.0137 0.0913 0.1519
Loa Loa (eye worm) leucyl aminopeptidase 0.0133 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0063 0.0144 0.0144
Leishmania major glutaminyl cyclase, putative 0.0133 0.0867 0.5
Mycobacterium tuberculosis Conserved protein 0.0133 0.0867 0.5
Echinococcus multilocularis Immunoglobulin 0.0063 0.0144 0.024
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.0867 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 163 nM Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation counting ChEMBL. 21186123

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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