Detailed information for compound 2074906

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.508 | Formula: C27H27NO4
  • H donors: 1 H acceptors: 2 LogP: 5.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCc2cn(c3c2cc(CCC(=O)O)cc3)c2ccccc2)ccc1OC
  • InChi: 1S/C27H27NO4/c1-31-25-14-10-20(17-26(25)32-2)8-12-21-18-28(22-6-4-3-5-7-22)24-13-9-19(16-23(21)24)11-15-27(29)30/h3-7,9-10,13-14,16-18H,8,11-12,15H2,1-2H3,(H,29,30)
  • InChiKey: ANALRIJIVMSBNQ-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1567 0.1402
Plasmodium falciparum ataxin-2 like protein, putative 0.0063 0.19 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.7704 0.7659
Loa Loa (eye worm) RNA binding protein 0.0197 0.7704 0.7659
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1567 0.1402
Schistosoma mansoni tar DNA-binding protein 0.0197 0.7704 0.7659
Trichomonas vaginalis importin beta-1, putative 0.0019 0 0.5
Echinococcus multilocularis geminin 0.0123 0.4504 0.4397
Echinococcus granulosus geminin 0.0123 0.4504 0.4397
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1319 0.1501
Brugia malayi RNA, U transporter 1 0.0067 0.2061 0.2488
Trypanosoma cruzi PAB1-binding protein , putative 0.0063 0.19 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0097 0.3375 0.3246
Schistosoma mansoni hypothetical protein 0.0028 0.0399 0.0211
Brugia malayi hypothetical protein 0.0041 0.0935 0.099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1567 0.1402
Schistosoma mansoni tar DNA-binding protein 0.0197 0.7704 0.7659
Schistosoma mansoni hypothetical protein 0.0034 0.0642 0.0459
Loa Loa (eye worm) TAR-binding protein 0.0197 0.7704 0.7659
Loa Loa (eye worm) hypothetical protein 0.005 0.1319 0.115
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1567 0.1831
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1319 0.115
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1319 0.1501
Schistosoma mansoni hypothetical protein 0.025 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.7704 0.7659
Echinococcus granulosus tar DNA binding protein 0.0197 0.7704 0.7659
Schistosoma mansoni hypothetical protein 0.0123 0.4504 0.4397
Loa Loa (eye worm) hypothetical protein 0.0063 0.19 0.1742
Trypanosoma brucei PAB1-binding protein , putative 0.0063 0.19 1
Echinococcus multilocularis snurportin 1 0.025 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0097 0.3375 0.3246
Leishmania major hypothetical protein, conserved 0.0063 0.19 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1567 0.1402
Brugia malayi TAR-binding protein 0.0197 0.7704 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0642 0.0599
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0028 0.0399 0.0211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1567 0.1402
Trypanosoma cruzi PAB1-binding protein , putative 0.0063 0.19 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1567 0.1402
Brugia malayi RNA binding protein 0.0197 0.7704 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0063 0.19 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1567 0.1402
Brugia malayi hypothetical protein 0.0063 0.19 0.2274
Schistosoma mansoni tar DNA-binding protein 0.0197 0.7704 0.7659
Echinococcus multilocularis tar DNA binding protein 0.0197 0.7704 0.7659
Schistosoma mansoni hypothetical protein 0.0123 0.4504 0.4397
Loa Loa (eye worm) hypothetical protein 0.0034 0.0642 0.0459
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.7704 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0063 0.19 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0028 0.0399 0.0211
Schistosoma mansoni tar DNA-binding protein 0.0197 0.7704 0.7659
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.025 1 1
Brugia malayi MH2 domain containing protein 0.0097 0.3375 0.4238
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1567 0.1402
Plasmodium vivax ataxin-2 like protein, putative 0.0063 0.19 1
Entamoeba histolytica hypothetical protein 0.0019 0 0.5

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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