Detailed information for compound 1456773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.45 | Formula: C20H29NO2
  • H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H](C2N(C)C)O)C
  • InChi: 1S/C20H29NO2/c1-20-9-8-15-14-7-5-13(22)10-12(14)4-6-16(15)17(20)11-18(23)19(20)21(2)3/h5,7,10,15-19,22-23H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19?,20+/m1/s1
  • InChiKey: INRGCPQCVSERCE-LOZDCHMLSA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0156 0.0156
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0156 0.0156
Brugia malayi Nuclear hormone receptor-like 1 0.0348 0.4564 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.007 0.0481 0.1054
Brugia malayi Nuclear hormone receptor-like 1 0.0316 0.4083 0.8946
Echinococcus multilocularis microtubule associated protein 2 0.072 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.007 0.0481 0.1054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.007 0.0481 0.1178
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.0481 0.0481
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0156 0.0341
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0147 0.1617 0.1617
Onchocerca volvulus Bile acid receptor homolog 0.0249 0.3107 1
Schistosoma mansoni hypothetical protein 0.0165 0.1874 0.1874
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0156 0.0381
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.007 0.0481 0.0481
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0156 0.0156
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.007 0.0481 0.0481
Brugia malayi nuclear receptor NHR-88 0.007 0.0481 0.1054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0156 0.0156
Schistosoma mansoni thyroid hormone receptor 0.0217 0.2637 0.2637
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.007 0.0481 0.1178
Echinococcus granulosus geminin 0.0165 0.1874 0.1874
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Echinococcus granulosus retinoic acid receptor rxr beta a 0.007 0.0481 0.0481
Brugia malayi Nuclear hormone receptor family member nhr-25 0.007 0.0481 0.1054
Brugia malayi steroid hormone receptor 0.007 0.0481 0.1054
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0147 0.1617 0.1617
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0218 0.0534
Brugia malayi Nuclear hormone receptor family member nhr-40 0.007 0.0481 0.1054
Echinococcus granulosus FTZ F1 alpha 0.007 0.0481 0.0481
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.007 0.0481 0.1178
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.007 0.0481 0.0481
Brugia malayi Nuclear hormone receptor family member nhr-3 0.007 0.0481 0.1054
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.007 0.0481 0.0481
Brugia malayi Nuclear hormone receptor family member nhr-31 0.007 0.0481 0.1054
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.007 0.0481 0.0481
Schistosoma mansoni microtubule-associated protein tau 0.072 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0156 0.0156
Echinococcus multilocularis ecdysone induced protein 78C 0.007 0.0481 0.0481
Schistosoma mansoni nuclear hormone receptor 0.007 0.0481 0.0481
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.007 0.0481 0.1178
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0312 0.4025 0.9859
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0218 0.0478
Schistosoma mansoni Tr4/Tr2 (homologue) 0.007 0.0481 0.0481
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.007 0.0481 0.0481
Schistosoma mansoni retinoic acid receptor RXR 0.007 0.0481 0.0481
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.007 0.0481 0.0481
Echinococcus multilocularis FTZ F1 alpha 0.007 0.0481 0.0481
Brugia malayi Steroid receptor seven-up type 2 0.007 0.0481 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-14 0.007 0.0481 0.1054
Schistosoma mansoni RAR-like nuclear receptor 0.007 0.0481 0.0481
Schistosoma mansoni hypothetical protein 0.0147 0.1617 0.1617
Brugia malayi Nuclear hormone receptor-like 1 0.0316 0.4083 0.8946
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.007 0.0481 0.0481
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.0481 0.0481
Loa Loa (eye worm) hypothetical protein 0.0249 0.3107 0.7609
Brugia malayi ecdysteroid receptor 0.0249 0.3107 0.6808
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.007 0.0481 0.0481
Schistosoma mansoni coup transcription factor 0.007 0.0481 0.0481
Schistosoma mansoni retinoid-x-receptor (RXR) 0.007 0.0481 0.0481
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.007 0.0481 0.1178
Schistosoma mansoni hypothetical protein 0.0165 0.1874 0.1874
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.007 0.0481 0.0481
Echinococcus multilocularis thyroid hormone receptor alpha 0.0217 0.2637 0.2637
Schistosoma mansoni steroid hormone receptor ad4bp 0.007 0.0481 0.0481
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.007 0.0481 0.1178
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.007 0.0481 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-1 0.007 0.0481 0.1054
Schistosoma mansoni thyroid hormone receptor 0.0217 0.2637 0.2637
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0218 0.0478
Brugia malayi nuclear hormone receptor 0.007 0.0481 0.1054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.007 0.0481 0.1178
Brugia malayi Nuclear hormone receptor family member nhr-49 0.007 0.0481 0.1054
Brugia malayi photoreceptor-specific nuclear receptor 0.007 0.0481 0.1054
Loa Loa (eye worm) hypothetical protein 0.0052 0.0218 0.0534
Loa Loa (eye worm) hypothetical protein 0.007 0.0481 0.1178
Loa Loa (eye worm) steroid hormone receptor 0.007 0.0481 0.1178
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0316 0.4083 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0156 0.0156
Echinococcus granulosus nuclear receptor 2DBD gamma 0.007 0.0481 0.0481
Brugia malayi Nuclear hormone receptor family member nhr-25 0.007 0.0481 0.1054
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.007 0.0481 0.0481
Echinococcus granulosus ecdysone induced protein 78C 0.007 0.0481 0.0481
Echinococcus multilocularis geminin 0.0165 0.1874 0.1874
Brugia malayi Nuclear hormone receptor family member nhr-41 0.007 0.0481 0.1054
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.007 0.0481 0.0481
Brugia malayi Nuclear hormone receptor family member nhr-19 0.007 0.0481 0.1054
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.007 0.0481 0.0481

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 11.5 mg kg-1 ED 50 value against aconitine-induced arrhythmias in mice ChEMBL. 3005568

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

No literature references available for this target.

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