Detailed information for compound 1181649

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1180.72 | Formula: C51H59I3O8
  • H donors: 1 H acceptors: 5 LogP: 12.49 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: Ic1ccccc1C(=O)O[C@H]([C@H](C(O)(C)C)OC(=O)c1ccccc1I)C[C@H](C1=C2C[C@H](OC(=O)c3ccccc3I)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
  • InChi: 1S/C51H59I3O8/c1-29(27-39(61-45(57)32-16-10-13-19-36(32)53)43(48(4,5)59)62-46(58)33-17-11-14-20-37(33)54)30-21-25-50(7)34(30)28-38(60-44(56)31-15-9-12-18-35(31)52)42-49(6)24-23-41(55)47(2,3)40(49)22-26-51(42,50)8/h9-20,29,38-40,42-43,59H,21-28H2,1-8H3/t29-,38+,39+,40+,42+,43-,49+,50+,51+/m1/s1
  • InChiKey: ISYXOWAKZVQCTK-LWTVVOMJSA-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
Schistosoma mansoni bromodomain containing protein 0.0065 0.2798 0.2798
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.019 0.019
Loa Loa (eye worm) hepatopoietin HPO2 0.0037 0.1025 0.1161
Schistosoma mansoni tar DNA-binding protein 0.0138 0.7293 0.7293
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0037 0.1025 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.1355 0.1562
Brugia malayi Augmenter of liver regeneration 0.0037 0.1025 0.0858
Brugia malayi Muscleblind-like protein 0.0154 0.831 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2057 0.2414
Brugia malayi Bromodomain containing protein 0.004 0.1199 0.1076
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2057 0.2414
Brugia malayi TAR-binding protein 0.0138 0.7293 0.8724
Loa Loa (eye worm) hypothetical protein 0.0073 0.3274 0.389
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2057 0.2153
Schistosoma mansoni hypothetical protein 0.0021 0.0068 0.0068
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0037 0.1025 0.5
Loa Loa (eye worm) RNA binding protein 0.0138 0.7293 0.8767
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0037 0.1025 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.831 1
Toxoplasma gondii Erv1 / Alr family protein 0.0037 0.1025 0.5
Brugia malayi RNA binding protein 0.0138 0.7293 0.8724
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0037 0.101 0.1143
Loa Loa (eye worm) hypothetical protein 0.0044 0.1477 0.171
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2057 0.2153
Schistosoma mansoni tar DNA-binding protein 0.0138 0.7293 0.7293
Echinococcus granulosus tar DNA binding protein 0.0138 0.7293 0.7293
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2569 0.2569
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0037 0.1025 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.019 0.019
Schistosoma mansoni hypothetical protein 0.0037 0.101 0.101
Schistosoma mansoni tar DNA-binding protein 0.0138 0.7293 0.7293
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0037 0.1025 0.1025
Echinococcus multilocularis tar DNA binding protein 0.0138 0.7293 0.7293
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1047 0.1047
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0037 0.1025 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0037 0.1025 0.5
Schistosoma mansoni tar DNA-binding protein 0.0138 0.7293 0.7293
Brugia malayi Bromodomain containing protein 0.0078 0.3548 0.4024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1047 0.1047
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.7293 0.8767
Schistosoma mansoni tar DNA-binding protein 0.0138 0.7293 0.7293
Leishmania major hypothetical protein, conserved 0.0037 0.1025 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0037 0.1025 0.5
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0037 0.1025 0.1025
Loa Loa (eye worm) TAR-binding protein 0.0138 0.7293 0.8767
Echinococcus granulosus muscleblind protein 0.0154 0.831 0.831
Echinococcus multilocularis muscleblind protein 0.0154 0.831 0.831
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.7293 0.8724
Echinococcus multilocularis muscleblind protein 1 0.0154 0.831 0.831
Loa Loa (eye worm) hypothetical protein 0.004 0.1203 0.1378
Loa Loa (eye worm) hypothetical protein 0.0154 0.831 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2569 0.2569
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.101 0.0839

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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