Detailed information for compound 1740454

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.482 | Formula: C26H26O5
  • H donors: 0 H acceptors: 2 LogP: 5.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)/C=C/c1coc2c(c1=O)c(OCC1CCCCC1)ccc2
  • InChi: 1S/C26H26O5/c1-29-21-13-10-19(11-14-21)22(27)15-12-20-17-31-24-9-5-8-23(25(24)26(20)28)30-16-18-6-3-2-4-7-18/h5,8-15,17-18H,2-4,6-7,16H2,1H3/b15-12+
  • InChiKey: JXNHMLRRQFEIRS-NTCAYCPXSA-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
Giardia lamblia Glycogen phosphorylase 0.0233 0.4375 1
Schistosoma mansoni protein phosphatase-2b 0.0042 0.0528 0.1207
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative 0.0042 0.0528 0.0528
Onchocerca volvulus DNA topoisomerase 2 homolog 0.012 0.2089 0.4228
Trypanosoma brucei DNA topoisomerase ii 0.0296 0.5643 1
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0037 0.0414 0.0734
Loa Loa (eye worm) hypothetical protein 0.0083 0.1351 0.3088
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0037 0.0414 0.1282
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2104 0.4809
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0606 0.0668
Giardia lamblia DNA topoisomerase III 0.0037 0.0414 0.0947
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0042 0.0528 0.1207
Treponema pallidum DNA topoisomerase I (topA) 0.0037 0.0414 0.0414
Trypanosoma brucei DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0083 0.1351 0.2393
Schistosoma mansoni hypothetical protein 0.0171 0.3122 0.7136
Entamoeba histolytica hypothetical protein 0.0036 0.0408 0.0932
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 0.0042 0.0528 0.1207
Leishmania major serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0042 0.0528 0.0936
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0408 0.0449
Trypanosoma cruzi DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0606 0.0668
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein 0.0042 0.0528 0.0936
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0037 0.0414 0.0947
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.2623 0.5997
Trypanosoma cruzi DNA topoisomerase II, putative 0.0083 0.1351 0.2393
Trichomonas vaginalis DNA topoisomerase II, putative 0.012 0.2089 0.4775
Loa Loa (eye worm) hypothetical protein 0.0083 0.1351 0.3088
Toxoplasma gondii DNA topoisomerase 2, putative 0.012 0.2089 0.3701
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0037 0.0414 0.0947
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0042 0.0528 0.1207
Toxoplasma gondii DNA topoisomerase family protein 0.0037 0.0414 0.0734
Echinococcus granulosus glycogen phosphorylase 0.0233 0.4375 0.4818
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0606 0.1386
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.012 0.2089 0.4228
Entamoeba histolytica DNA topoisomerase III, putative 0.0037 0.0414 0.0947
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0042 0.0528 0.0581
Echinococcus granulosus neuropeptide s receptor 0.0466 0.9079 1
Loa Loa (eye worm) glycogen phosphorylase 0.0233 0.4375 1
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0042 0.0528 0.0936
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.2623 0.5997
Loa Loa (eye worm) hypothetical protein 0.0042 0.0516 0.1179
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0296 0.5643 1
Trypanosoma brucei DNA topoisomerase IA, putative 0.0037 0.0414 0.0734
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0606 0.1386
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0042 0.0528 0.1207
Schistosoma mansoni glycogen phosphorylase 0.0233 0.4375 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0606 0.1386
Brugia malayi DNA topoisomerase III beta-1 0.0037 0.0414 0.0947
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.012 0.2089 0.23
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0543 0.0962
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0037 0.0414 0.0456
Giardia lamblia DNA topoisomerase III 0.0037 0.0414 0.0947
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0042 0.0528 0.1207
Echinococcus granulosus geminin 0.0171 0.3122 0.3438
Loa Loa (eye worm) DNA topoisomerase III 0.0037 0.0414 0.0947
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0037 0.0414 0.0947
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0037 0.0414 0.0734
Leishmania major DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Chlamydia trachomatis DNA gyrase subunit B 0.0336 0.6446 0.6446
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0042 0.0528 0.1207
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0042 0.0528 0.0581
Loa Loa (eye worm) TOPoisomerase family member 0.012 0.2089 0.4775
Trypanosoma cruzi DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0083 0.1351 0.2393
Schistosoma mansoni protein phosphatase-2b 0.0042 0.0528 0.1207
Brugia malayi GRF zinc finger family protein 0.0037 0.0414 0.0947
Brugia malayi MH2 domain containing protein 0.012 0.2104 0.4809
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0543 0.0543
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0042 0.0528 0.1207
Leishmania major mitochondrial DNA topoisomerase II 0.0296 0.5643 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0606 0.0668
Plasmodium falciparum DNA topoisomerase 3, putative 0.0037 0.0414 0.0414
Leishmania major serine/threonine protein phosphatase, putative 0.0042 0.0528 0.0936
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0296 0.5643 1
Trypanosoma brucei protein phosphatase 2B, putative 0.0042 0.0528 0.0936
Onchocerca volvulus Glycogen phosphorylase homolog 0.0233 0.4375 1
Echinococcus multilocularis glycogen phosphorylase 0.0233 0.4375 0.4818
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0042 0.0528 0.0581
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0296 0.5643 1
Echinococcus granulosus neuropeptide receptor A26 0.0466 0.9079 1
Trypanosoma cruzi serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0042 0.0528 0.0936
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0037 0.0414 0.0414
Plasmodium vivax DNA topoisomerase 3, putative 0.0037 0.0414 0.0414
Chlamydia trachomatis DNA topoisomerase I 0.0037 0.0414 0.0414
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0471 0.1076
Giardia lamblia DNA topoisomerase II 0.0104 0.1765 0.4034
Plasmodium falciparum DNA gyrase subunit B 0.0512 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0466 0.9079 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0512 1 1
Schistosoma mansoni DNA topoisomerase II 0.012 0.2089 0.4775
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0512 1 1
Schistosoma mansoni hypothetical protein 0.0171 0.3122 0.7136
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0543 0.0962
Entamoeba histolytica glycogen phosphorylase, putative 0.0233 0.4375 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0233 0.4375 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0543 0.1241
Brugia malayi hypothetical protein 0.0036 0.0408 0.0932
Entamoeba histolytica DNA topoisomerase II, putative 0.012 0.2089 0.4775
Plasmodium falciparum serine/threonine protein phosphatase 2B catalytic subunit A 0.0042 0.0528 0.0528
Entamoeba histolytica glycogenphosphorylase, putative 0.0101 0.1708 0.3903
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0543 0.0598
Echinococcus multilocularis geminin 0.0171 0.3122 0.3438
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0512 1 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.012 0.2089 0.23
Brugia malayi carbohydrate phosphorylase 0.0233 0.4375 1
Echinococcus multilocularis neuropeptide receptor A26 0.0466 0.9079 1
Chlamydia trachomatis glycogen phosphorylase 0.0233 0.4375 0.4375
Trypanosoma cruzi DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Onchocerca volvulus DNA topoisomerase 2 homolog 0.012 0.2089 0.4228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0606 0.1386
Leishmania major DNA topoisomerase 1A 0.0037 0.0414 0.0734
Entamoeba histolytica hypothetical protein 0.0036 0.0408 0.0932
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0543 0.1241
Echinococcus granulosus Glycosyl transferase family 35 0.0233 0.4375 0.4818
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0037 0.0414 0.0947
Leishmania major DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Loa Loa (eye worm) hypothetical protein 0.0042 0.0528 0.1207
Schistosoma mansoni glycogen phosphorylase 0.0233 0.4375 1
Plasmodium falciparum DNA topoisomerase 2 0.012 0.2089 0.2089
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0408 0.0932
Schistosoma mansoni hypothetical protein 0.0036 0.0408 0.0932
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2104 0.4809
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0101 0.1708 0.1708
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.012 0.2089 0.4775
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0101 0.1708 0.1708
Mycobacterium ulcerans DNA topoisomerase I 0.0037 0.0414 0.0414
Entamoeba histolytica DNA topoisomerase III, putative 0.0037 0.0414 0.0947
Entamoeba histolytica hypothetical protein 0.0036 0.0408 0.0932
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0512 1 1
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0037 0.0414 0.0456
Trypanosoma brucei DNA topoisomerase III, putative 0.0037 0.0414 0.0734
Brugia malayi DNA topoisomerase III 0.0037 0.0414 0.0947
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.2623 0.2889
Echinococcus granulosus glycogen phosphorylase 0.0233 0.4375 0.4818
Echinococcus multilocularis Glycosyl transferase, family 35 0.0233 0.4375 0.4818
Loa Loa (eye worm) acetyltransferase 0.0146 0.2623 0.5997
Entamoeba histolytica glycogen phosphorylase, putative 0.0101 0.1708 0.3903
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0408 0.0449
Mycobacterium ulcerans DNA gyrase subunit B 0.0512 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.012 0.2089 0.4775
Plasmodium vivax DNA topoisomerase II, putative 0.012 0.2089 0.2089
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0037 0.0414 0.0947
Trichomonas vaginalis glycogen phosphorylase, putative 0.0233 0.4375 1
Schistosoma mansoni glycogen phosphorylase 0.0101 0.1708 0.3903
Brugia malayi Probable DNA topoisomerase II 0.012 0.2089 0.4775
Echinococcus multilocularis glycogen phosphorylase 0.0233 0.4375 0.4818
Entamoeba histolytica glycogen phosphorylase, putative 0.0101 0.1708 0.3903
Leishmania major DNA topoisomerase ii 0.0083 0.1351 0.2393
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0042 0.0528 0.0581
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.2541 0.2798
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0606 0.0668
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0471 0.0471
Entamoeba histolytica glycogen phosphorylase, putative 0.0233 0.4375 1
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0471 0.1076
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0176 0.323 1
Echinococcus multilocularis rho GTPase activating protein 20 0.0037 0.0414 0.0456
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0042 0.0528 0.0936
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0037 0.0414 0.0734
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0037 0.0414 0.0456
Entamoeba histolytica hypothetical protein 0.0036 0.0408 0.0932
Trypanosoma cruzi DNA topoisomerase II, putative 0.0083 0.1351 0.2393
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0606 0.1386

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 30 uM Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay ChEMBL. 23202848
Inhibition (binding) = 9.3 % Inhibition of IL-5 in mouse pro-B Y16 cells at 30 uM after 48 hrs by WST1 assay ChEMBL. 23202848

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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