Detailed information for compound 19371

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.408 | Formula: C15H27N5O
  • H donors: 5 H acceptors: 2 LogP: -0.86 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccnc1C1CCNCCNCCCNCCN1
  • InChi: 1S/C15H27N5O/c21-14-3-1-7-20-15(14)13-4-8-18-10-9-16-5-2-6-17-11-12-19-13/h1,3,7,13,16-19,21H,2,4-6,8-12H2
  • InChiKey: BRUJGZBLCHTIRF-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
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0079 0.4295 1
Mycobacterium leprae Probable two component sensor kinase MprB 0.0014 0.0147 0.0342
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.556 0.8161
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0079 0.4295 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.3553 0.5214
Onchocerca volvulus 0.0012 0 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0012 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1222 0.1222
Schistosoma mansoni hypothetical protein 0.0031 0.1222 0.1222
Leishmania major protein kinase, putative 0.0012 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.556 0.8161
Echinococcus multilocularis geminin 0.0168 1 1
Brugia malayi MH2 domain containing protein 0.0118 0.6813 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.6813 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0012 0 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.1222 0.1794
Schistosoma mansoni hypothetical protein 0.0168 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.1222 0.1222
Schistosoma mansoni hypothetical protein 0.0168 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.1222 0.1222
Leishmania major protein kinase, putative 0.0012 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2126 0.2126
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1222 0.1222
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2126 0.2126
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0019 0.0421 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2126 0.2126
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0019 0.0421 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2126 0.2126
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.6813 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1222 0.1794
Trichomonas vaginalis sensor histidine kinase, putative 0.0019 0.0421 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2126 0.312
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0091 0.5081 0.5
Trichomonas vaginalis receptor histidine kinase, putative 0.0019 0.0421 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0019 0.0421 1
Schistosoma mansoni hypothetical protein 0.0031 0.1222 0.1222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2126 0.2126
Loa Loa (eye worm) hypothetical protein 0.0099 0.556 0.8161
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1222 0.1794
Trichomonas vaginalis receptor histidine kinase, putative 0.0019 0.0421 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.3553 0.5214
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0012 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2126 0.2126
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1222 0.1794
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1222 0.1222
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0019 0.0421 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.1222 0.1222
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0079 0.4295 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0012 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0012 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1222 0.1222
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0019 0.0421 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0014 0.0147 0.0342
Schistosoma mansoni hypothetical protein 0.0067 0.3553 0.3553
Echinococcus granulosus GPCR family 2 0.0031 0.1222 0.1222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2126 0.2126
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.556 0.8161
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0079 0.4295 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2126 0.312
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0 0.5

Activities

Activity type Activity value Assay description Source Reference
pKa = 3.6 pKa of the compound was reported ChEMBL. 8568797

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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