Detailed information for compound 1002575

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 722.732 | Formula: C38H42O14
  • H donors: 3 H acceptors: 9 LogP: 2.08 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)c3ccccc3)C(=C)[C@H](OC(=O)c3ccccc3)[C@@H](O)C(=O)C([C@@H]3[C@@H]([C@@H](C(=O)[C@]2([C@H]([C@@]1(C)O)OC(=O)C)O)C)O3)(C)C
  • InChi: 1S/C38H42O14/c1-18-26(51-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,46)35(49-21(4)40)38(24,47)29(42)19(2)28-32(50-28)36(5,6)30(43)25(41)27(18)52-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28+,31+,32-,35-,37-,38+/m0/s1
  • InChiKey: GGNRKDBHYWEODY-AOFCAHJOSA-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 granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0966 0.1135
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.1459 0.1795
Schistosoma mansoni lamin 0.0026 0.0563 0.0694
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.6441 0.7398
Brugia malayi jmjC domain containing protein 0.0093 0.3643 0.4184
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.208 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0937 0.1097
Loa Loa (eye worm) hypothetical protein 0.0069 0.253 0.2906
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0661 0.0825
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0265 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1594 0.2059
Brugia malayi intermediate filament protein 0.0026 0.0563 0.0646
Trichomonas vaginalis set domain proteins, putative 0.023 1 1
Echinococcus multilocularis musashi 0.0026 0.0563 0.0596
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0693 0.2354
Brugia malayi Pre-SET motif family protein 0.0029 0.0693 0.0795
Schistosoma mansoni hypothetical protein 0.0049 0.1594 0.2059
Echinococcus granulosus lamin 0.0026 0.0563 0.0596
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8707 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0265 0.0198
Echinococcus granulosus lamin dm0 0.0026 0.0563 0.0596
Echinococcus granulosus chromobox protein 1 0.0068 0.2483 0.3164
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0265 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.1023 0.1175
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0643 0.0704
Echinococcus multilocularis peregrin 0.0031 0.0768 0.087
Brugia malayi Pre-SET motif family protein 0.0202 0.8707 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1459 0.1881
Plasmodium vivax SET domain protein, putative 0.0029 0.0693 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0661 0.9266
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0265 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0265 0.1112
Schistosoma mansoni chromobox protein 0.0068 0.2483 0.3236
Schistosoma mansoni hypothetical protein 0.0049 0.1594 0.2059
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0265 0.5
Schistosoma mansoni chromobox protein 0.0068 0.2483 0.3236
Echinococcus multilocularis chromobox protein 1 0.0068 0.2483 0.3164
Loa Loa (eye worm) hypothetical protein 0.0028 0.0661 0.0759
Schistosoma mansoni hypothetical protein 0.0105 0.4198 0.5506
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.208 1
Echinococcus granulosus zinc finger protein 0.0019 0.0231 0.0152
Echinococcus granulosus GPCR family 2 0.0049 0.1594 0.1976
Trichomonas vaginalis chromobox protein, putative 0.0041 0.124 0.1001
Echinococcus granulosus intermediate filament protein 0.0026 0.0563 0.0596
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.208 0.2703
Plasmodium falciparum phd finger protein, putative 0.0028 0.0661 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1182 0.1357
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0693 0.0866
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.1205 0.1545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.3643 0.4717
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.6441 0.7398
Schistosoma mansoni jumonji domain containing protein 0.0074 0.2761 0.3604
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.1594 0.1976
Brugia malayi chromobox protein homolog 3 0.0038 0.1106 0.1271
Schistosoma mansoni hypothetical protein 0.002 0.0278 0.0317
Schistosoma mansoni zinc finger protein 0.0019 0.0231 0.0255
Brugia malayi Bromodomain containing protein 0.0037 0.1072 0.1232
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0563 0.0646
Loa Loa (eye worm) hypothetical protein 0.0038 0.1106 0.1271
Onchocerca volvulus Alhambra homolog 0.0028 0.0661 0.0104
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.1459 0.1795
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.208 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.1106 0.0576
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0265 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0117 0.0104
Schistosoma mansoni bromodomain containing protein 0.0062 0.2195 0.2855
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0693 0.077
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0594 0.0337
Echinococcus multilocularis geminin 0.0178 0.7593 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0563 0.0694
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.1594 0.1976
Echinococcus multilocularis lamin 0.0026 0.0563 0.0596
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.1023 0.1303
Loa Loa (eye worm) hypothetical protein 0.0049 0.1594 0.1831
Loa Loa (eye worm) hypothetical protein 0.0105 0.4198 0.4821
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0364 0.0431
Brugia malayi PHD-finger family protein 0.0028 0.0661 0.0759
Loa Loa (eye worm) hypothetical protein 0.003 0.0727 0.0835
Schistosoma mansoni ap endonuclease 0.002 0.0265 0.03
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.2035 0.2565
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0661 0.0759
Onchocerca volvulus 0.003 0.0727 0.0174
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.2035 0.2565
Echinococcus multilocularis lamin dm0 0.0026 0.0563 0.0596
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.208 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0265 0.0305
Schistosoma mansoni hypothetical protein 0.0178 0.7593 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0966 0.1135
Echinococcus granulosus peregrin 0.0031 0.0768 0.087
Brugia malayi PHD-finger family protein 0.0024 0.047 0.054
Schistosoma mansoni hypothetical protein 0.0178 0.7593 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.208 0.2626
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.1594 0.1831
Brugia malayi Heterochromatin protein 1 0.0068 0.2483 0.2851
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.2483 0.2851
Schistosoma mansoni lamin 0.0026 0.0563 0.0694
Onchocerca volvulus 0.004 0.1205 0.0681
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0661 0.0728
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1459 0.1881
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2483 0.2278
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.1023 0.1212
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0265 0.0198
Loa Loa (eye worm) hypothetical protein 0.0037 0.1076 0.1235
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.1594 0.1976
Brugia malayi Bromodomain containing protein 0.0073 0.2722 0.3127
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0661 0.0728
Loa Loa (eye worm) hypothetical protein 0.0026 0.0563 0.0646
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.3643 0.4717
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0278 0.0319
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.208 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0265 0.0305
Trichomonas vaginalis chromobox protein, putative 0.0041 0.124 0.1001
Schistosoma mansoni hypothetical protein 0.0049 0.1594 0.2059
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0364 0.033
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0661 0.2181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.6441 0.7398
Echinococcus multilocularis zinc finger protein 0.0019 0.0231 0.0152
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.208 0.2703
Loa Loa (eye worm) hypothetical protein 0.0041 0.1268 0.1456
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.1594 0.1976
Echinococcus multilocularis GPCR, family 2 0.0049 0.1594 0.1976
Loa Loa (eye worm) hypothetical protein 0.0153 0.6441 0.7398
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0145 0.0166
Echinococcus granulosus geminin 0.0178 0.7593 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1106 0.0864
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1106 0.0864
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.2057 0.2362
Echinococcus granulosus jumonji domain containing protein 0.0039 0.1175 0.1414
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0563 0.0646
Echinococcus granulosus chromobox protein 1 0.0068 0.2483 0.3164
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.208 0.2626
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.1175 0.1414
Schistosoma mansoni ap endonuclease 0.002 0.0265 0.03
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.1594 0.1831
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0594 0.0337
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0265 1
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.4198 0.4821
Brugia malayi Bromodomain containing protein 0.0031 0.0768 0.0882
Brugia malayi jmjC domain containing protein 0.0036 0.1023 0.1175
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0117 0.0104
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.124 0.0717
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0661 0.2181
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2483 0.2278
Loa Loa (eye worm) hypothetical protein 0.0026 0.0541 0.0621
Loa Loa (eye worm) hypothetical protein 0.0049 0.1598 0.1835
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.208 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.1023 0.1303
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0563 0.0646
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0364 0.033
Giardia lamblia PHD finger protein 15 0.0028 0.0661 1
Brugia malayi Latrophilin receptor protein 2 0.0049 0.1594 0.1831
Loa Loa (eye worm) hypothetical protein 0.0046 0.1459 0.1676
Schistosoma mansoni hypothetical protein 0.0028 0.0661 0.0825
Echinococcus multilocularis chromobox protein 1 0.0068 0.2483 0.3164

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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