Detailed information for compound 155075

Basic information

Technical information
  • TDR Targets ID: 155075
  • Name: methyl 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2 -yl)butanoate
  • MW: 326.343 | Formula: C19H18O5
  • H donors: 2 H acceptors: 4 LogP: 3.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CCCc1ccc2c(c1O)C(=O)c1c(C2)cccc1O
  • InChi: 1S/C19H18O5/c1-24-15(21)7-3-4-11-8-9-13-10-12-5-2-6-14(20)16(12)19(23)17(13)18(11)22/h2,5-6,8-9,20,22H,3-4,7,10H2,1H3
  • InChiKey: IXFBQNFWAZFOQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)butanoic acid methyl ester
  • 4-(1,8-dihydroxy-9-keto-10H-anthracen-2-yl)butyric acid methyl ester

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 0.0052 0.0776 0.0776
Schistosoma mansoni tar DNA-binding protein 0.0139 0.2889 0.2889
Brugia malayi TAR-binding protein 0.0139 0.2889 0.2889
Schistosoma mansoni hypothetical protein 0.0052 0.0776 0.0776
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0776 0.0776
Schistosoma mansoni hypothetical protein 0.0112 0.2227 0.2227
Echinococcus granulosus FTZ F1 alpha 0.0393 0.9037 0.9037
Onchocerca volvulus 0.0234 0.5172 1
Echinococcus multilocularis tar DNA binding protein 0.0139 0.2889 0.2889
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0433 1 1
Schistosoma mansoni hypothetical protein 0.0052 0.0776 0.0776
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0776 0.0776
Loa Loa (eye worm) TAR-binding protein 0.0139 0.2889 0.2889
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0139 0.2889 0.2889
Echinococcus multilocularis GPCR, family 2 0.0052 0.0776 0.0776
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0776 0.0776
Brugia malayi RNA recognition motif domain containing protein 0.0139 0.2889 0.2889
Loa Loa (eye worm) hypothetical protein 0.0099 0.1919 0.1919
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0433 1 1
Schistosoma mansoni tar DNA-binding protein 0.0139 0.2889 0.2889
Echinococcus multilocularis FTZ F1 alpha 0.0099 0.1919 0.1919
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0099 0.1919 0.1919
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0433 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0099 0.1919 0.1919
Loa Loa (eye worm) hypothetical protein 0.0164 0.3478 0.3478
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.2227 0.2227
Loa Loa (eye worm) hypothetical protein 0.0112 0.2227 0.2227
Brugia malayi Pax transcription factor protein 2 0.0234 0.5172 0.5172
Brugia malayi RNA binding protein 0.0139 0.2889 0.2889
Echinococcus granulosus GPCR family 2 0.0052 0.0776 0.0776
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0776 0.0776
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0776 0.0776
Schistosoma mansoni hypothetical protein 0.0052 0.0776 0.0776
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0776 0.0776
Loa Loa (eye worm) pax transcription factor protein 2 0.0234 0.5172 0.5172
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0776 0.0776
Echinococcus granulosus tar DNA binding protein 0.0139 0.2889 0.2889
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0433 1 1
Schistosoma mansoni tar DNA-binding protein 0.0139 0.2889 0.2889
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.1919 0.1919
Loa Loa (eye worm) RNA binding protein 0.0139 0.2889 0.2889
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0164 0.3478 0.3478
Schistosoma mansoni tar DNA-binding protein 0.0139 0.2889 0.2889
Brugia malayi Calcitonin receptor-like protein seb-1 0.0164 0.3478 0.3478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0433 1 1
Schistosoma mansoni tar DNA-binding protein 0.0139 0.2889 0.2889
Schistosoma mansoni hypothetical protein 0.0079 0.1444 0.1444
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0099 0.1919 0.1919
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0433 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.1919 0.1919
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0433 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0164 0.3478 0.3478
Schistosoma mansoni hypothetical protein 0.0052 0.0776 0.0776
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0433 1 1

Activities

Activity type Activity value Assay description Source Reference
DD (binding) = 0.33 uM Antioxidant activity, measuring Deoxyribose degradation (DD) as a measure of hydroxyl radical formation. ChEMBL. 9276024
IC50 (functional) = 1.1 uM Antiproliferative activity (AA) against HaCaT keratinocytes. ChEMBL. 9276024
IC50 (functional) = 1.1 uM Antiproliferative activity (AA) against HaCaT keratinocytes. ChEMBL. 9276024
IC50 (functional) > 30 uM 5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leukocytes ChEMBL. 9276024
IC50 (functional) > 30 uM 5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leukocytes ChEMBL. 9276024

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 9276024

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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