Detailed information for compound 954608

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 442.505 | Formula: C24H30N2O6
  • H donors: 1 H acceptors: 1 LogP: 3.35 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)OCCN1CCOCC1)/C=C\c1cc(OC)cc(c1)OC
  • InChi: 1S/C24H30N2O6/c1-28-20-14-19(15-21(17-20)29-2)5-4-18-6-7-23(30-3)22(16-18)25-24(27)32-13-10-26-8-11-31-12-9-26/h4-7,14-17H,8-13H2,1-3H3,(H,25,27)/b5-4-
  • InChiKey: UXWOZMIAIAGKNL-PLNGDYQASA-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 aldehyde dehydrogenase 0.0063 0.3103 0.2947
Brugia malayi Bromodomain containing protein 0.0078 0.4008 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0681 0.047
Brugia malayi PHD-finger family protein 0.0026 0.0831 0.2073
Trypanosoma cruzi ISWI complex protein 0.0016 0.0221 0.5
Schistosoma mansoni lamin 0.0023 0.0649 0.0438
Brugia malayi intermediate filament protein 0.0023 0.0649 0.162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2152 0.1975
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0371 0.0994
Loa Loa (eye worm) hypothetical protein 0.0018 0.0333 0.089
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0333 0.0114
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.3103 0.2865
Brugia malayi Bromodomain containing protein 0.004 0.168 0.4192
Echinococcus granulosus lamin dm0 0.0023 0.0649 0.0328
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0333 0.0114
Loa Loa (eye worm) hypothetical protein 0.004 0.1685 0.4508
Loa Loa (eye worm) hypothetical protein 0.0023 0.0649 0.1737
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2152 0.576
Echinococcus multilocularis geminin 0.0176 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0649 0.162
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2152 0.1882
Onchocerca volvulus 0.0023 0.0649 0.5
Schistosoma mansoni zinc finger protein 0.002 0.0493 0.0277
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0681 0.036
Echinococcus multilocularis lamin 0.0023 0.0649 0.0328
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0649 0.1737
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.3103 0.2865
Schistosoma mansoni hypothetical protein 0.0176 1 1
Echinococcus granulosus zinc finger protein 0.002 0.0493 0.0166
Echinococcus multilocularis lamin dm0 0.0023 0.0649 0.0328
Schistosoma mansoni bromodomain containing protein 0.0066 0.3265 0.3113
Echinococcus granulosus lamin 0.0023 0.0649 0.0328
Loa Loa (eye worm) hypothetical protein 0.0022 0.0624 0.1669
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2152 0.1882
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.056 0.1498
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2152 0.1882
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2152 0.1975
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3103 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1956 0.5235
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3103 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.3038 0.2798
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.153 0.1239
Schistosoma mansoni lamin 0.0023 0.0649 0.0438
Trypanosoma cruzi ISWI complex protein 0.0016 0.0221 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.3103 0.2947
Echinococcus granulosus intermediate filament protein 0.0023 0.0649 0.0328
Echinococcus multilocularis zinc finger protein 0.002 0.0493 0.0166
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0333 0.0114
Schistosoma mansoni intermediate filament proteins 0.0023 0.0649 0.0438
Loa Loa (eye worm) hypothetical protein 0.0042 0.1835 0.491
Onchocerca volvulus 0.0023 0.0649 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.3737 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.3038 0.2798
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.3103 0.5
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0649 0.1737
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.153 0.1239
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2152 0.1882
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2152 0.537
Echinococcus multilocularis musashi 0.0023 0.0649 0.0328
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0333 0.0114
Schistosoma mansoni hypothetical protein 0.0021 0.056 0.0346
Trypanosoma brucei ISWI complex protein 0.0016 0.0221 0.5
Schistosoma mansoni hypothetical protein 0.0176 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3103 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2152 0.1975
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0681 0.036
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.3103 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.3103 1

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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