Detailed information for compound 1138698

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.444 | Formula: C24H24O5
  • H donors: 0 H acceptors: 2 LogP: 5.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)c(OCC1CCCCC1)ccc2
  • InChi: 1S/C24H24O5/c1-27-24(26)18-12-10-16(11-13-18)14-21-23(25)22-19(8-5-9-20(22)29-21)28-15-17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3/b21-14-
  • InChiKey: WRXZDQVDLJAPCD-STZFKDTASA-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
Trypanosoma brucei unspecified product 0.0014 0.0229 0.5399
Echinococcus multilocularis dna polymerase kappa 0.002 0.0378 0.0374
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0059 0.1322
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0378 0.8968
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0047 0.1039
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0047 0.1039
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0158 0.0154
Schistosoma mansoni hypothetical protein 0.0174 0.4083 0.4083
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Schistosoma mansoni hypothetical protein 0.0011 0.0158 0.0158
Brugia malayi Fli-1 protein 0.0226 0.5328 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0059 0.1322
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0158 0.0289
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0229 0.5399
Trypanosoma cruzi DNA damage repair protein, putative 0.0006 0.0047 0.1039
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0.0047 0.0062
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0378 0.0378
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0421 0.0417
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1473 0.1473
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0214
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Echinococcus granulosus dna polymerase kappa 0.002 0.0378 0.0374
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0074 0.0071
Echinococcus multilocularis cpg binding protein 0.0031 0.0648 0.0644
Brugia malayi Ets-domain containing protein 0.0011 0.0158 0.0289
Giardia lamblia DINP protein human, muc B family 0.002 0.0378 0.8968
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0158 0.0154
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0047 0.035
Echinococcus multilocularis protein C ets 2 0.0011 0.0158 0.0154
Schistosoma mansoni DNA polymerase eta 0.002 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0006 0.0047 0.0081
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0114
Schistosoma mansoni hypothetical protein 0.0004 0.0004 0.0004
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0047 0.035
Trypanosoma cruzi DNA polymerase eta, putative 0.0006 0.0047 0.1039
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0421 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0378 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1473 0.1473
Echinococcus multilocularis geminin 0.0174 0.4083 0.4081
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0378 0.8968
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0158 0.0289
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1473 0.147
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0229 0.5399
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0421 0.0601
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0047 0.1039
Leishmania major DNA polymerase eta, putative 0.002 0.0378 0.8968
Trypanosoma brucei DNA damage repair protein, putative 0.0006 0.0047 0.1039
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0378 0.8968
Schistosoma mansoni hypothetical protein 0.0174 0.4083 0.4083
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0378 0.0703
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0.0047 0.0062
Loa Loa (eye worm) hypothetical protein 0.002 0.0378 0.0703
Schistosoma mansoni ap endonuclease 0.0022 0.0421 0.0421
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0114
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0378 0.0378
Leishmania major DNA polymerase eta, putative 0.0006 0.0047 0.1039
Echinococcus granulosus tar DNA binding protein 0.0065 0.1473 0.147
Schistosoma mansoni neutral sphingomyelinase 0.0004 0.0004 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Echinococcus granulosus geminin 0.0174 0.4083 0.4081
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0158 0.0154
Trypanosoma brucei unspecified product 0.0014 0.0229 0.5399
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0421 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0059 0.1322
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0047 0.1039
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1242 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0378 0.8968
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0158 0.0154
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0047 0.0047
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0378 0.8968
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0378 0.048
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0378 0.0539
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0158 0.0289
Brugia malayi transcription factor E74 isoform 0.0011 0.0158 0.0289
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0158 0.0154
Leishmania major DNA damage repair protein, putative 0.0006 0.0047 0.1039
Echinococcus multilocularis dna polymerase eta 0.002 0.0378 0.0374
Echinococcus granulosus cpg binding protein 0.0031 0.0648 0.0644
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0378 0.0703
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0378 0.8968
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0209
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0059 0.1322
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0158 0.0289
Brugia malayi polk-prov protein 0.0006 0.0047 0.0081
Toxoplasma gondii exonuclease III APE 0.0022 0.0421 0.337
Leishmania major DNA polymerase kappa, putative 0.002 0.0378 0.8968
Schistosoma mansoni cript-related 0.0004 0.0004 0.0004
Brugia malayi Ets-domain containing protein 0.0074 0.1687 0.3161
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0293 0.6946 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0378 0.8968
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0421 0.0601
Schistosoma mansoni nocturnin 0.0004 0.0004 0.0004
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0378 0.8968
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0421 0.0601
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0378 0.8968
Loa Loa (eye worm) RNA binding protein 0.0065 0.1473 0.2759
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0074 0.0071
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0378 0.0539
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0158 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0158 0.0154
Trypanosoma cruzi DNA damage repair protein, putative 0.0006 0.0047 0.1039
Loa Loa (eye worm) hypothetical protein 0.0011 0.0158 0.0289
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0158 0.0154
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0293 0.6946 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0421 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0421 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0421 1
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0158 0.0289
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0421 0.5
Brugia malayi RNA binding protein 0.0065 0.1473 0.2759
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0378 0.8968
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0421 0.0601
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0074 0.0071
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.1687 0.3161
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Schistosoma mansoni ap endonuclease 0.0022 0.0421 0.0421
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0421 0.0784
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Schistosoma mansoni cpg binding protein 0.0031 0.0648 0.0648
Echinococcus multilocularis ets variant gene 4 0.0011 0.0158 0.0154
Brugia malayi CXXC zinc finger family protein 0.0029 0.0608 0.1134
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1473 0.1473
Schistosoma mansoni gabp alpha 0.0074 0.1687 0.1687
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0421 1
Schistosoma mansoni hypothetical protein 0.042 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Brugia malayi TAR-binding protein 0.0065 0.1473 0.2759
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0229 0.5399
Trypanosoma brucei hypothetical protein, conserved 0.0006 0.0047 0.1039
Trypanosoma brucei unspecified product 0.002 0.0378 0.8968
Loa Loa (eye worm) hypothetical protein 0.0011 0.0158 0.0289
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Giardia lamblia DNA damage repair protein 0.0006 0.0047 0.1039
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0047 0.1039
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0378 0.048
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0608 0.1134
Schistosoma mansoni ets-related 0.0011 0.0158 0.0158
Schistosoma mansoni synaptojanin 0.0004 0.0004 0.0004
Echinococcus granulosus dna polymerase eta 0.002 0.0378 0.0374
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0378 0.8968
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0158 0.0158
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1473 0.2759
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0158 0.0154
Schistosoma mansoni elf1 0.0011 0.0158 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Echinococcus multilocularis dnaJ subfamily B 0.042 1 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0293 0.6946 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0421 0.0542
Treponema pallidum hypothetical protein 0.0293 0.6946 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0059 0.1322
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0074 0.0071
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.1687 0.1684
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0158 0.0154
Echinococcus granulosus protein C ets 2 0.0011 0.0158 0.0154
Schistosoma mansoni ets-related 0.0226 0.5328 0.5328
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Trypanosoma brucei chrX additional, unordered contigs 0.0006 0.0047 0.1039
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0421 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0378 0.8968
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1403 0.1403
Schistosoma mansoni cpg binding protein 0.0029 0.0608 0.0608
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0293 0.6946 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0378 0.0703
Loa Loa (eye worm) hypothetical protein 0.0064 0.1427 0.2674
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1473 0.1473
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0293 0.6946 1
Onchocerca volvulus 0.0029 0.0608 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0421 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1473 0.2759
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0158 0.0154
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0421 0.0784
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0378 0.0374
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.1687 0.1684
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0378 0.8968
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0059 0.1322
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0059 0.1322
Brugia malayi Ets-domain containing protein 0.0074 0.1687 0.3161
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0004 0.0004 0.0004
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0158 0.0154
Loa Loa (eye worm) fli-1 protein 0.0226 0.5328 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1473 0.1473
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0378 0.8968
Schistosoma mansoni synaptojanin 0.0004 0.0004 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0006 0.0047 0.1039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0059 0.1322
Trichomonas vaginalis helicase, putative 0.0007 0.0059 0.1322
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0421 0.0417
Leishmania major DNA polymerase kappa, putative 0.0006 0.0047 0.1039
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1473 0.2759
Schistosoma mansoni ets 0.0011 0.0158 0.0158
Schistosoma mansoni hypothetical protein 0.0011 0.0158 0.0158
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0059 0.1322
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0047 0.035
Schistosoma mansoni carbon catabolite repressor protein 0.0004 0.0004 0.0004

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 30 uM Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay ChEMBL. 20472438
Inhibition (binding) = 3.5 % Inhibition of IL5-mediated proliferation of mouse Y16 cells at 50 uM by WST1 assay ChEMBL. 20472438

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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