Detailed information for compound 1211106

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.385 | Formula: C17H24N2O
  • H donors: 2 H acceptors: 0 LogP: 2.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)C1(CCNCC1)CC2NC1CC1
  • InChi: 1S/C17H24N2O/c1-20-13-4-5-14-15(10-13)17(6-8-18-9-7-17)11-16(14)19-12-2-3-12/h4-5,10,12,16,18-19H,2-3,6-9,11H2,1H3
  • InChiKey: AXXKPIUVXXQZET-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
Leishmania major hypothetical protein, conserved 0.0015 0.1321 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0102 0.5
Schistosoma mansoni zinc finger protein 0.0021 0.2163 0.2593
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.5963 0.7549
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.2583 0.3126
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.166 0.1919
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.1569 0.188
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.7837 1
Trichomonas vaginalis helicase, putative 0.0007 0.0102 0.5
Brugia malayi CXXC zinc finger family protein 0.0029 0.3327 0.2824
Trypanosoma cruzi ISWI complex protein 0.0015 0.1321 0.5
Echinococcus granulosus cpg binding protein 0.0033 0.3835 0.4765
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.5963 0.7549
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.1569 0.1799
Trypanosoma cruzi ISWI complex protein 0.0015 0.1321 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.2583 0.3096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.5963 0.7148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0102 0.5
Echinococcus granulosus zinc finger protein 0.0021 0.2163 0.2577
Loa Loa (eye worm) hypothetical protein 0.0017 0.166 0.1813
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0102 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0448 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.5963 0.7148
Schistosoma mansoni zinc finger protein 0.0015 0.1321 0.1583
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0102 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4918 0.537
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.1655 0.1808
Loa Loa (eye worm) hypothetical protein 0.0038 0.4583 0.5005
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.7837 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0102 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0193 0.0232
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0102 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.5963 0.7549
Loa Loa (eye worm) PHD-finger family protein 0.002 0.2075 0.2266
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.2583 0.3126
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0102 0.5
Echinococcus multilocularis cpg binding protein 0.0033 0.3835 0.4765
Brugia malayi PHD-finger family protein 0.0026 0.2918 0.2384
Schistosoma mansoni cpg binding protein 0.0029 0.3327 0.3988
Schistosoma mansoni bromodomain containing protein 0.0064 0.8343 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0102 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.166 0.199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.5963 0.7148
Trypanosoma brucei ISWI complex protein 0.0015 0.1321 0.5
Schistosoma mansoni cpg binding protein 0.0033 0.3835 0.4597
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.3327 0.3633
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.4238 0.5292
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0448 0.0333
Brugia malayi Bromodomain containing protein 0.0038 0.4573 0.4164
Schistosoma mansoni hypothetical protein 0.0015 0.1321 0.1583
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.5963 0.5659
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.166 0.199
Loa Loa (eye worm) hypothetical protein 0.0044 0.5425 0.5925
Onchocerca volvulus 0.0029 0.3327 0.5
Schistosoma mansoni cpg binding protein 0.0033 0.3835 0.4597
Echinococcus multilocularis zinc finger protein 0.0021 0.2163 0.2577
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.5963 0.6512
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.5963 0.7549
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.166 0.1919
Schistosoma mansoni hypothetical protein 0.002 0.2075 0.2487
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0102 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.1569 0.188
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.1569 0.1799
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.4238 0.5292
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.7392 0.5
Loa Loa (eye worm) hypothetical protein 0.007 0.9157 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0448 0.0489
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.8002 0.9591

Activities

No activities found for this compound.

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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