Detailed information for compound 182120

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 168.216 | Formula: C8H14N3O
  • H donors: 2 H acceptors: 1 LogP: -0.78 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC[C@@H]1CC[C@@H](O1)[CH]1=CNC=N1
  • InChi: 1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8?/m1/s1
  • InChiKey: KWWHIDCVULQSFZ-XPJFZRNWSA-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
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0065 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.4065 0.4065
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.4065 0.4065
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0065 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 1 1
Schistosoma mansoni thyroid hormone receptor 0.0065 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0065 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0036 0.502 0.502
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0065 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0036 0.502 0.502
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.47 0.47
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0065 1 1
Schistosoma mansoni nuclear receptor 0.0031 0.4065 0.4065
Loa Loa (eye worm) nuclear receptor NHR-67 0.0031 0.4065 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0065 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0065 1 1
Schistosoma mansoni tyrosine kinase 0.0036 0.502 0.502
Onchocerca volvulus Bile acid receptor homolog 0.0065 1 1
Brugia malayi nuclear hormone receptor 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0065 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 1 1
Brugia malayi conserved hypotetical protein 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0036 0.502 0.502
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.502 0.502
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0065 1 1
Brugia malayi nuclear receptor RXR 0.0031 0.4065 0.4065
Brugia malayi nuclear hormone receptor family member odr-7 0.0031 0.4065 0.4065
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0176 0.0176
Schistosoma mansoni steroid hormone receptor ad4bp 0.0065 1 1
Brugia malayi hypothetical protein 0.0035 0.47 0.47
Schistosoma mansoni nuclear hormone receptor 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Brugia malayi protein-tyrosine kinase 0.0033 0.441 0.441
Brugia malayi Nuclear hormone receptor-like 1 0.0065 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0036 0.502 0.502
Loa Loa (eye worm) TK protein kinase 0.0029 0.3785 0.3785
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0176 0.0176
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0035 0.47 0.47
Brugia malayi nuclear receptor NHR-67 0.0031 0.4065 0.4065
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.502 0.502
Brugia malayi nuclear receptor RXR 0.0035 0.47 0.47
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0035 0.47 0.47
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0036 0.502 0.502
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0065 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0065 1 1
Schistosoma mansoni tyrosine kinase 0.0008 0.0176 0.0176
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.4065 0.4065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0065 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0036 0.502 0.502
Loa Loa (eye worm) hypothetical protein 0.0035 0.47 0.47
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0065 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0065 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0065 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0065 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.502 0.502
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.47 0.47
Brugia malayi SRC-1 0.0036 0.502 0.502
Loa Loa (eye worm) SRC-1 0.0036 0.502 0.502
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 1 1
Brugia malayi steroid hormone receptor 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.47 0.47
Onchocerca volvulus 0.0065 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0065 1 1
Brugia malayi nuclear receptor NHR-88 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0035 0.47 0.47
Schistosoma mansoni thyroid hormone receptor 0.0065 1 1
Schistosoma mansoni nuclear hormone receptor 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0031 0.4065 0.4065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0065 1 1
Brugia malayi nuclear receptor NHR-88 0.0065 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0065 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0031 0.4065 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0065 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0036 0.502 0.502
Schistosoma mansoni tyrosine kinase 0.0036 0.502 0.502
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0031 0.4065 0.4065
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0031 0.4065 0.4065
Brugia malayi ecdysone receptor 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0065 1 1
Schistosoma mansoni coup transcription factor 0.0065 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0065 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase Blk 0.0033 0.441 0.441
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0036 0.502 0.502
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0035 0.47 0.47
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0035 0.47 0.47
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0065 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0065 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0008 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Entamoeba histolytica protein kinase, putative 0.0029 0.3785 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0065 1 1
Brugia malayi Nuclear hormone receptor E75 0.0031 0.4065 0.4065
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0065 1 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0029 0.3785 0.3785
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0065 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase Abl 0.0008 0.0176 0.0176
Schistosoma mansoni nuclear hormone receptor 0.0065 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0176 0.0176
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0031 0.4065 0.4065
Loa Loa (eye worm) steroid hormone receptor 0.0065 1 1
Schistosoma mansoni zinc finger protein 0.0031 0.4065 0.4065
Echinococcus granulosus tyrosine protein kinase Src64B 0.0036 0.502 0.502
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0065 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.502 0.502
Brugia malayi orphan nuclear receptor NR2E1 0.0031 0.4065 0.4065
Brugia malayi nuclear hormone receptor 0.0065 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0065 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Brugia malayi hypothetical protein 0.0035 0.47 0.47
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.502 0.502
Echinococcus granulosus ecdysone induced protein 78C 0.0065 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0065 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0031 0.4065 0.4065
Brugia malayi Nuclear hormone receptor E75 0.0031 0.4065 0.4065
Echinococcus granulosus FTZ F1 alpha 0.0065 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.47 0.47
Loa Loa (eye worm) hypothetical protein 0.0035 0.47 0.47
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0033 0.441 0.441
Echinococcus granulosus thyroid hormone receptor alpha 0.0031 0.4065 0.4065
Loa Loa (eye worm) DR-78 0.0031 0.4065 0.4065
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.441 0.441
Brugia malayi tailless protein 0.0031 0.4065 0.4065
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0065 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0031 0.4065 0.4065
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0176 0.0176
Brugia malayi Steroid receptor seven-up type 2 0.0065 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0032 0.4235 0.4235
Echinococcus multilocularis nuclear receptor nhr 48 0.0031 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0065 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0065 1 1
Loa Loa (eye worm) TK protein kinase 0.0033 0.441 0.441
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0065 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.4065 0.4065
Brugia malayi hypothetical protein 0.0031 0.4065 0.4065
Brugia malayi hypothetical protein 0.0031 0.4065 0.4065
Echinococcus granulosus tyrosine protein kinase Blk 0.0033 0.441 0.441
Echinococcus granulosus tyrosine kinase 0.0033 0.441 0.441
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0065 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0176 0.0176
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0036 0.502 0.502
Echinococcus granulosus tyrosine protein kinase Src42A 0.0036 0.502 0.502
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0035 0.47 0.47
Schistosoma mansoni tyrosine kinase 0.0008 0.0176 0.0176
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0065 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0031 0.4065 0.4065
Schistosoma mansoni nuclear receptor nhr-48 0.0031 0.4065 0.4065
Schistosoma mansoni nuclear receptor 0.0031 0.4065 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0065 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0065 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0036 0.502 0.502
Echinococcus multilocularis tyrosine protein kinase Srms 0.0033 0.441 0.441
Echinococcus granulosus tyrosine protein kinase Src42A 0.0032 0.4235 0.4235
Echinococcus multilocularis tyrosine protein kinase HCK 0.0029 0.3785 0.3785
Brugia malayi nuclear hormone receptor family member nhr-6 0.0031 0.4065 0.4065

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Tested for activity of compound against neurogenic contractions of guinea pig jejunum; Potent antagonist ChEMBL. 15163206
Activity (functional) 0 Activity against Histamine H3 receptor mediated inhibition of [3H]-norepinephrine release from mouse brain; Partial agonist ChEMBL. 15163206

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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