Detailed information for compound 1541316

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 824.91 | Formula: C50H48O11
  • H donors: 5 H acceptors: 7 LogP: 10.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=CCC1=C(O)C(=C[C@H]2[C@@H]1Oc1c2c(=O)oc2c1cc(CC=C(C)C)c(c2)O)C(=O)c1c(oc2c1cc(O)c1c2C=CC(O1)(C)C)c1cc(CC=C(C)C)c(cc1O)O)C
  • InChi: 1S/C50H48O11/c1-23(2)9-12-26-17-30(37(53)21-35(26)51)47-40(33-20-38(54)46-29(45(33)60-47)15-16-50(7,8)61-46)43(56)34-19-32-41-48(59-44(32)28(42(34)55)14-11-25(5)6)31-18-27(13-10-24(3)4)36(52)22-39(31)58-49(41)57/h9-11,15-22,32,44,51-55H,12-14H2,1-8H3/t32-,44-/m1/s1
  • InChiKey: SFSWWKXZIPWQFP-ULPWYVLESA-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
Brugia malayi TAR-binding protein 0.013 0.1726 0.303
Schistosoma mansoni Smad4 0.0018 0.0115 0.0116
Loa Loa (eye worm) Smad1 0.0018 0.0115 0.0201
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0138 0.7357
Echinococcus granulosus intermediate filament protein 0.0237 0.325 0.325
Brugia malayi hypothetical protein 0.0035 0.0362 0.0635
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.5696 1
Echinococcus granulosus Smad4 0.0018 0.0115 0.0115
Schistosoma mansoni tar DNA-binding protein 0.013 0.1726 0.1746
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0699 0.0699
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0263 0.0263
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0699 0.0707
Loa Loa (eye worm) TAR-binding protein 0.013 0.1726 0.303
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0263 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0497 0.0497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0497 0.0503
Entamoeba histolytica hypothetical protein 0.0035 0.0362 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.4136 0.7261
Schistosoma mansoni tar DNA-binding protein 0.013 0.1726 0.1746
Echinococcus granulosus microtubule associated protein 2 0.0701 0.9886 0.9886
Echinococcus granulosus lamin 0.0237 0.325 0.325
Brugia malayi Importin beta-1 subunit 0.0028 0.0263 0.0461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0497 0.0873
Schistosoma mansoni DNA helicase recq1 0.0019 0.0138 0.0139
Echinococcus multilocularis smad 0.0018 0.0115 0.0115
Loa Loa (eye worm) RNA binding protein 0.013 0.1726 0.303
Loa Loa (eye worm) hypothetical protein 0.011 0.1435 0.2519
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0127 0.1677 0.2944
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0263 0.3759
Entamoeba histolytica hypothetical protein 0.0035 0.0362 1
Schistosoma mansoni smad1 5 8 and 0.0018 0.0115 0.0116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0497 0.0497
Echinococcus granulosus importin subunit beta 1 0.0028 0.0263 0.0263
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0115 0.0115
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0115 0.0115
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0263 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0138 0.7357
Entamoeba histolytica hypothetical protein 0.0035 0.0362 1
Plasmodium vivax SET domain protein, putative 0.0059 0.0699 1
Brugia malayi MH1 domain containing protein 0.001 0.0002 0.0004
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.0138 0.5238
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0115 0.0115
Brugia malayi glutaminase DH11.1 0.027 0.3727 0.6542
Schistosoma mansoni importin beta-1 0.0028 0.0263 0.0266
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0115 0.0115
Brugia malayi RNA binding protein 0.013 0.1726 0.303
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0115 0.0201
Onchocerca volvulus 0.0059 0.0699 0.1075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0497 0.0497
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0362 0.0366
Loa Loa (eye worm) glutaminase 0.027 0.3727 0.6542
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0003 0.004
Loa Loa (eye worm) transcription factor SMAD2 0.0259 0.3565 0.6258
Brugia malayi Pre-SET motif family protein 0.0408 0.5696 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0114 0.1497 0.1497
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0003 0.0003
Echinococcus multilocularis tar DNA binding protein 0.013 0.1726 0.1726
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0362 0.0362
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0115 0.0116
Loa Loa (eye worm) hypothetical protein 0.011 0.1435 0.2519
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.9886 0.9886
Schistosoma mansoni smad 0.0018 0.0115 0.0116
Loa Loa (eye worm) glutaminase 2 0.027 0.3727 0.6542
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0138 0.0138
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0187 0.0288
Schistosoma mansoni lamin 0.0237 0.325 0.3287
Echinococcus multilocularis bloom syndrome protein 0.0019 0.0138 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0497 0.0497
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0699 0.0707
Echinococcus multilocularis snurportin 1 0.0299 0.4136 0.4136
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0699 0.0699
Loa Loa (eye worm) hypothetical protein 0.0233 0.3188 0.5596
Schistosoma mansoni cellular tumor antigen P53 0.0104 0.1346 0.1362
Schistosoma mansoni intermediate filament proteins 0.0237 0.325 0.3287
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0237 0.325 0.5705
Entamoeba histolytica recQ family DNA helicase 0.001 0.0003 0.0076
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.0138 0.0242
Schistosoma mansoni tar DNA-binding protein 0.013 0.1726 0.1746
Schistosoma mansoni smad1 5 8 and 0.0018 0.0115 0.0116
Brugia malayi cytoplasmic intermediate filament protein 0.0127 0.1677 0.2944
Brugia malayi MH1 domain containing protein 0.001 0.0002 0.0004
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0138 0.1969
Brugia malayi MH2 domain containing protein 0.0018 0.0115 0.0201
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0138 0.0242
Loa Loa (eye worm) hypothetical protein 0.0104 0.1346 0.2364
Brugia malayi Pre-SET motif family protein 0.0059 0.0699 0.1228
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0699 0.0699
Echinococcus granulosus bloom syndrome protein 0.0019 0.0138 0.0138
Echinococcus granulosus smad 0.0018 0.0115 0.0115
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0138 0.3804
Echinococcus multilocularis lamin 0.0237 0.325 0.325
Plasmodium vivax importin-beta 2, putative 0.0028 0.0263 0.3759
Loa Loa (eye worm) hypothetical protein 0.0059 0.0699 0.1228
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0362 0.0362
Echinococcus granulosus lamin dm0 0.0237 0.325 0.325
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0138 0.5238
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0138 0.5238
Brugia malayi MH1 domain containing protein 0.0018 0.0115 0.0201
Loa Loa (eye worm) RecQ helicase 0.0019 0.0138 0.0242
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0138 0.0242
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0187 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.1726 0.1746
Echinococcus multilocularis musashi 0.0237 0.325 0.325
Loa Loa (eye worm) MH2 domain-containing protein 0.0259 0.3565 0.6258
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0138 0.0138
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0138 0.1969
Echinococcus multilocularis tumor protein p63 0.0709 1 1
Brugia malayi MH2 domain containing protein 0.0259 0.3565 0.6258
Brugia malayi MH1 domain containing protein 0.0018 0.0115 0.0201
Echinococcus multilocularis lamin dm0 0.0237 0.325 0.325
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.0138 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.1726 0.303
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0138 0.0242
Leishmania major importin beta-1 subunit, putative 0.0023 0.0187 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0004
Plasmodium falciparum importin beta, putative 0.0028 0.0263 1
Schistosoma mansoni hypothetical protein 0.0035 0.0362 0.0366
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0138 0.0138
Onchocerca volvulus 0.0237 0.325 0.4998
Schistosoma mansoni smad1 5 8 and 0.0018 0.0115 0.0116
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0003 0.0148
Loa Loa (eye worm) intermediate filament protein 0.0237 0.325 0.5705
Echinococcus granulosus snurportin 1 0.0299 0.4136 0.4136
Entamoeba histolytica hypothetical protein 0.0023 0.0187 0.5171
Loa Loa (eye worm) hypothetical protein 0.001 0.0003 0.0005
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0668 0.0668
Brugia malayi Intermediate filament tail domain containing protein 0.0237 0.325 0.5705
Loa Loa (eye worm) nuclear factor I 0.001 0.0002 0.0004
Schistosoma mansoni lamin 0.0237 0.325 0.3287
Brugia malayi RNA recognition motif domain containing protein 0.013 0.1726 0.303
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0114 0.1497 0.1497
Entamoeba histolytica hypothetical protein 0.0035 0.0362 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0699 0.0707
Trichomonas vaginalis set domain proteins, putative 0.0464 0.6502 1
Echinococcus multilocularis Smad4 0.0018 0.0115 0.0115
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0115 0.0201
Mycobacterium ulcerans glutaminase 0.027 0.3727 0.5
Trichomonas vaginalis glutaminase, putative 0.027 0.3727 0.5731
Loa Loa (eye worm) hypothetical protein 0.001 0.0003 0.0005
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0003 0.0148
Echinococcus granulosus tar DNA binding protein 0.013 0.1726 0.1726
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0699 1
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0138 0.0212
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.9886 1
Brugia malayi MH2 domain containing protein 0.0018 0.0115 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0699 0.0707
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0003 0.004
Loa Loa (eye worm) hypothetical protein 0.0028 0.0263 0.0461
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0187 0.0288
Loa Loa (eye worm) hypothetical protein 0.0114 0.1497 0.2628
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0497 0.0503
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0187 0.0288
Schistosoma mansoni glutaminase 0.027 0.3727 0.377
Onchocerca volvulus 0.0237 0.325 0.4998
Onchocerca volvulus 0.0464 0.6502 1
Schistosoma mansoni hypothetical protein 0.0299 0.4136 0.4184
Schistosoma mansoni tar DNA-binding protein 0.013 0.1726 0.1746
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0003 0.5
Brugia malayi intermediate filament protein 0.0237 0.325 0.5705
Loa Loa (eye worm) hypothetical protein 0.0019 0.0138 0.0242
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.0138 0.0212
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0138 0.0138
Schistosoma mansoni DNA helicase recq5 0.0019 0.0138 0.0139
Brugia malayi Smad1 0.0018 0.0115 0.0201
Loa Loa (eye worm) hypothetical protein 0.0237 0.325 0.5705
Brugia malayi RNA, U transporter 1 0.008 0.1001 0.1757
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0497 0.0503
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0497 0.0873
Onchocerca volvulus 0.0104 0.1346 0.2071
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0138 0.0212

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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