Detailed information for compound 1016670

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.48 | Formula: C26H25NO5
  • H donors: 0 H acceptors: 2 LogP: 5.43 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)COc1ccc2c(c1)n(Cc1ccc(cc1)Cc1ccc(cc1)CC)c(=O)o2
  • InChi: 1S/C26H25NO5/c1-3-18-4-6-19(7-5-18)14-20-8-10-21(11-9-20)16-27-23-15-22(31-17-25(28)30-2)12-13-24(23)32-26(27)29/h4-13,15H,3,14,16-17H2,1-2H3
  • InChiKey: WXGQWFAXMSRSOW-UHFFFAOYSA-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
Echinococcus multilocularis smad 0.0009 0.0036 0.0028
Leishmania major importin beta-1 subunit, putative 0.0025 0.0421 0.7577
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0165 0.377 0.3765
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0262 0.0605
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0333 0.0325
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0488 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0073 0.0049
Echinococcus multilocularis cpg binding protein 0.0034 0.0633 0.0625
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0432 0.0424
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0254 0.0247
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.1031 0.6947
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0036 0.0028
Echinococcus multilocularis snurportin 1 0.0326 0.7604 0.7602
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.7604 1
Schistosoma mansoni hypothetical protein 0.0039 0.0762 0.0755
Schistosoma mansoni hypothetical protein 0.019 0.4368 0.4363
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.1405 0.181
Loa Loa (eye worm) RNA binding protein 0.0066 0.1405 0.181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0262 0.0254
Loa Loa (eye worm) hypothetical protein 0.0031 0.0559 0.0691
Echinococcus granulosus importin subunit beta 1 0.0031 0.0559 0.0551
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0488 0.0481
Brugia malayi Flap endonuclease-1 0.0028 0.0488 0.1211
Schistosoma mansoni cpg binding protein 0.0034 0.0633 0.0625
Echinococcus multilocularis dnaJ subfamily B 0.0427 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0432 0.0424
Schistosoma mansoni bromodomain containing protein 0.001 0.0073 0.0065
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0343 0.0406
Schistosoma mansoni smad 0.0009 0.0036 0.0028
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0036 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1405 0.1399
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.027 0.0262
Echinococcus granulosus snurportin 1 0.0326 0.7604 0.7602
Brugia malayi MH2 domain containing protein 0.0127 0.2845 0.7523
Loa Loa (eye worm) hypothetical protein 0.005 0.1027 0.1309
Loa Loa (eye worm) acetyltransferase 0.0165 0.377 0.4934
Plasmodium vivax importin-beta 2, putative 0.0031 0.0559 0.5421
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1405 0.1399
Onchocerca volvulus 0.003 0.0544 0.5
Echinococcus granulosus smad 0.0009 0.0036 0.0028
Echinococcus multilocularis Smad4 0.0009 0.0036 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1405 0.1399
Brugia malayi TAR-binding protein 0.0066 0.1405 0.3668
Echinococcus granulosus zinc finger protein 0.0026 0.0453 0.0445
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1345 0.1338
Echinococcus multilocularis geminin 0.019 0.4368 0.4363
Schistosoma mansoni bromodomain containing protein 0.0072 0.154 0.1533
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0051 0.0044
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0432 0.0424
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0148 0.3365 1
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0333 0.0325
Brugia malayi acetyltransferase, GNAT family protein 0.0165 0.377 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.1031 0.2071
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0877 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0262 0.0298
Schistosoma mansoni smad1 5 8 and 0.0009 0.0036 0.0028
Schistosoma mansoni hypothetical protein 0.0018 0.0262 0.0254
Brugia malayi RNA, U transporter 1 0.0087 0.1901 0.4995
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0488 0.1474
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0333 0.0325
Plasmodium falciparum importin beta, putative 0.0031 0.0559 0.4151
Schistosoma mansoni smad1 5 8 and 0.0009 0.0036 0.0028
Schistosoma mansoni smad1 5 8 and 0.0009 0.0036 0.0028
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0544 0.0672
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0559 0.2247
Loa Loa (eye worm) hypothetical protein 0.0057 0.1193 0.1529
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.1451 0.1444
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0.0333 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1589 0.2052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1193 0.1529
Schistosoma mansoni Smad4 0.0009 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.004 0.0784 0.0989
Loa Loa (eye worm) TAR-binding protein 0.0066 0.1405 0.181
Echinococcus granulosus cpg binding protein 0.0034 0.0633 0.0625
Brugia malayi PHD-finger family protein 0.0032 0.0586 0.1472
Schistosoma mansoni hypothetical protein 0.0427 1 1
Brugia malayi Importin beta-1 subunit 0.0031 0.0559 0.14
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.1031 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0333 0.0325
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.027 0.0262
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0036 0.0028
Schistosoma mansoni zinc finger protein 0.0026 0.0453 0.0445
Echinococcus granulosus geminin 0.019 0.4368 0.4363
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1193 0.31
Schistosoma mansoni hypothetical protein 0.0018 0.0262 0.0254
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.1337 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0051 0.0044
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.027 0.0262
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0559 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.2845 0.3712
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0877 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.0047 0.0938 0.1193
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0333 0.0795
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0724 0.0717
Mycobacterium tuberculosis Probable aminotransferase 0.0148 0.3365 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0762 0.096
Loa Loa (eye worm) hypothetical protein 0.0018 0.027 0.0309
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0262 0.0605
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1405 0.1399
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0877 1
Brugia malayi Bromodomain containing protein 0.0084 0.1831 0.4807
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0036 0.0028
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0096 0.0161
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.1031 0.6947
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.3602 0.3597
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0262 0.0254
Schistosoma mansoni hypothetical protein 0.0326 0.7604 0.7602
Schistosoma mansoni flap endonuclease-1 0.0025 0.0425 0.0417
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0254 0.0247
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0488 1
Schistosoma mansoni importin beta-1 0.0031 0.0559 0.0551
Schistosoma mansoni hypothetical protein 0.019 0.4368 0.4363
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0559 0.0551
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.1405 0.3668
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0724 0.0717
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0148 0.3365 1
Echinococcus multilocularis tar DNA binding protein 0.0066 0.1405 0.1399
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0262 0.0254
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0.0333 0.3231
Echinococcus granulosus Smad4 0.0009 0.0036 0.0028
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0254 0.0247
Echinococcus granulosus Aminotransferase class III 0.0021 0.0333 0.0325
Echinococcus multilocularis GPCR, family 2 0.0018 0.0262 0.0254
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.1031 0.1024
Echinococcus multilocularis zinc finger protein 0.0026 0.0453 0.0445
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.027 0.0262
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0488 0.4736
Brugia malayi Bromodomain containing protein 0.0044 0.0878 0.2255
Schistosoma mansoni cpg binding protein 0.003 0.0544 0.0537
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0051 0.002
Schistosoma mansoni tar DNA-binding protein 0.0066 0.1405 0.1399
Schistosoma mansoni hypothetical protein 0.0016 0.0211 0.0203
Schistosoma mansoni hypothetical protein 0.0018 0.0262 0.0254
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0165 0.377 0.3765
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0333 0.0325
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0488 0.1545
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0.0333 0.5
Echinococcus granulosus flap endonuclease 1 0.0028 0.0488 0.0481
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0421 0.7577
Schistosoma mansoni zinc finger protein 0.0016 0.0211 0.0203
Schistosoma mansoni hypothetical protein 0.0022 0.0343 0.0336
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0148 0.3365 1
Brugia malayi CXXC zinc finger family protein 0.003 0.0544 0.1362
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0365 0.0435
Schistosoma mansoni cpg binding protein 0.0034 0.0633 0.0625
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0488 0.0598
Plasmodium falciparum flap endonuclease 1 0.0028 0.0488 0.2854
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.2845 0.3712
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0262 0.0254
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0488 0.0228
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.1451 0.1444
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0488 0.7972
Schistosoma mansoni hypothetical protein 0.0018 0.0262 0.0254
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1193 0.31
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.1031 0.2071
Echinococcus granulosus GPCR family 2 0.0018 0.0262 0.0254
Mycobacterium ulcerans hypothetical protein 0.0148 0.3365 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0254 0.0247
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0262 0.0298
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0762 0.1945
Echinococcus granulosus tar DNA binding protein 0.0066 0.1405 0.1399
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0148 0.3365 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0559 1
Brugia malayi RNA binding protein 0.0066 0.1405 0.3668

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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