Detailed information for compound 155369

Basic information

Technical information
  • TDR Targets ID: 155369
  • Name: 2-[6-[(4-acetyl-3-hydroxy-2-propylphenyl)meth oxy]-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]ace tic acid
  • MW: 410.46 | Formula: C24H26O6
  • H donors: 2 H acceptors: 5 LogP: 4.24 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(COc2ccc3c(c2)CCC(C3=O)CC(=O)O)ccc(c1O)C(=O)C
  • InChi: 1S/C24H26O6/c1-3-4-20-17(7-9-19(14(2)25)24(20)29)13-30-18-8-10-21-15(11-18)5-6-16(23(21)28)12-22(26)27/h7-11,16,29H,3-6,12-13H2,1-2H3,(H,26,27)
  • InChiKey: CECXFVCSDWXOBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methoxy]-1-oxo-tetralin-2-yl]acetic acid
  • 2-[6-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]-1-oxo-2-tetralinyl]acetic acid
  • 2-[6-[(4-ethanoyl-3-hydroxy-2-propyl-phenyl)methoxy]-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]ethanoic acid
  • 2-[6-(4-acetyl-3-hydroxy-2-propyl-benzyl)oxy-1-keto-tetralin-2-yl]acetic acid

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
Echinococcus granulosus tar DNA binding protein 0.11 0.8979 1
Echinococcus multilocularis tar DNA binding protein 0.11 0.8979 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0288 0.2088 1
Toxoplasma gondii hypothetical protein 0.0046 0.0036 0.0547
Loa Loa (eye worm) hypothetical protein 0.0834 0.6723 0.6723
Brugia malayi RNA recognition motif domain containing protein 0.11 0.8979 0.8979
Brugia malayi Calcitonin receptor-like protein seb-1 0.122 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0097 0.0465 0.0517
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0097 0.0465 1
Brugia malayi isocitrate dehydrogenase 0.0097 0.0465 0.0465
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0097 0.0465 1
Toxoplasma gondii isocitrate dehydrogenase 0.0097 0.0465 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0097 0.0465 0.0517
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0386 0.2919 0.2919
Loa Loa (eye worm) MH2 domain-containing protein 0.0491 0.3814 0.3814
Loa Loa (eye worm) hypothetical protein 0.0078 0.0301 0.0301
Brugia malayi MH2 domain containing protein 0.0491 0.3814 0.3814
Schistosoma mansoni tar DNA-binding protein 0.11 0.8979 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0288 0.2088 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0386 0.2919 0.3251
Brugia malayi hypothetical protein 0.108 0.8809 0.8809
Schistosoma mansoni tar DNA-binding protein 0.11 0.8979 1
Echinococcus granulosus GPCR family 2 0.0386 0.2919 0.3251
Schistosoma mansoni hypothetical protein 0.0386 0.2919 0.3251
Mycobacterium ulcerans hypothetical protein 0.0152 0.093 1
Brugia malayi hypothetical protein 0.005 0.0067 0.0067
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.0301 0.6386
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0097 0.0465 0.4931
Echinococcus granulosus muscleblind protein 0.0143 0.0852 0.0949
Echinococcus multilocularis isocitrate dehydrogenase 0.0097 0.0465 0.0517
Brugia malayi TAR-binding protein 0.11 0.8979 0.8979
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0097 0.0465 0.1991
Echinococcus multilocularis muscleblind protein 0.0143 0.0852 0.0949
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0301 0.1183
Loa Loa (eye worm) hypothetical protein 0.0386 0.2919 0.2919
Loa Loa (eye worm) hypothetical protein 0.108 0.8809 0.8809
Schistosoma mansoni tar DNA-binding protein 0.11 0.8979 1
Schistosoma mansoni hypothetical protein 0.0386 0.2919 0.3251
Loa Loa (eye worm) TAR-binding protein 0.11 0.8979 0.8979
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0097 0.0465 0.1991
Brugia malayi latrophilin 2 splice variant baaae 0.0834 0.6723 0.6723
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0136 0.08 0.3795
Loa Loa (eye worm) transcription factor SMAD2 0.0491 0.3814 0.3814
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0582 0.458 0.5101
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0136 0.08 0.279
Brugia malayi Muscleblind-like protein 0.0143 0.0852 0.0852
Brugia malayi RNA binding protein 0.11 0.8979 0.8979
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0044 0.0012 0.0013
Loa Loa (eye worm) hypothetical protein 0.0143 0.0852 0.0852
Loa Loa (eye worm) isocitrate dehydrogenase 0.0097 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.122 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0097 0.0465 0.2182
Schistosoma mansoni tar DNA-binding protein 0.11 0.8979 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0386 0.2919 0.2919
Leishmania major hypothetical protein, conserved 0.0078 0.0301 0.1393
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0386 0.2919 0.3251
Loa Loa (eye worm) hypothetical protein 0.0143 0.0852 0.0852
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0386 0.2919 0.3251
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0097 0.0465 0.0517
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0136 0.08 0.3643
Onchocerca volvulus 0.108 0.8809 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0044 0.0012 0.0013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.122 1 1
Schistosoma mansoni hypothetical protein 0.0834 0.6723 0.7487
Brugia malayi hypothetical protein 0.0078 0.0301 0.0301
Brugia malayi Latrophilin receptor protein 2 0.0386 0.2919 0.2919
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0386 0.2919 0.3251
Schistosoma mansoni aldehyde dehydrogenase 0.0044 0.0012 0.0013
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0097 0.0465 0.0517
Echinococcus multilocularis muscleblind protein 1 0.0143 0.0852 0.0949
Echinococcus multilocularis GPCR, family 2 0.0386 0.2919 0.3251
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.11 0.8979 0.8979
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0097 0.0465 0.0517
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0097 0.0465 0.0517
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0097 0.0465 0.0916
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0097 0.0465 0.0916
Schistosoma mansoni hypothetical protein 0.0386 0.2919 0.3251
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0288 0.2088 1
Leishmania major mitochondrial DNA polymerase beta 0.0288 0.2088 1
Brugia malayi Isocitrate dehydrogenase 0.0097 0.0465 0.0465
Toxoplasma gondii isocitrate dehydrogenase 0.0097 0.0465 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0044 0.0012 0.0013
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0301 0.1183
Schistosoma mansoni hypothetical protein 0.0386 0.2919 0.3251
Schistosoma mansoni tar DNA-binding protein 0.11 0.8979 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0152 0.093 1
Loa Loa (eye worm) RNA binding protein 0.11 0.8979 0.8979

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) 0 mg kg-1 Ability to block the LTD4 pressor response in pithed rats after intravenous administration; NT=Not tested (ED50 mg/Kg) ChEMBL. 1654427
pKB (functional) = 7.71 In vitro ability to antagonize LTD4-induced contractions of guinea pig ileum. ChEMBL. 1654427

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

1 literature reference was collected for this gene.

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