Detailed information for compound 1031760

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 460.603 | Formula: C27H40O6
  • H donors: 2 H acceptors: 5 LogP: 4.61 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)C1=C2O[C@@H](C[C@]2(C/C=C(/CCC=C(C)C)\C)C(=O)[C@](C1=O)(C)O)C(O)(C)C)C
  • InChi: 1S/C27H40O6/c1-9-18(5)21(28)20-22(29)26(8,32)24(30)27(14-13-17(4)12-10-11-16(2)3)15-19(25(6,7)31)33-23(20)27/h11,13,18-19,31-32H,9-10,12,14-15H2,1-8H3/b17-13+/t18?,19-,26+,27-/m0/s1
  • InChiKey: DTEYYPBVTTXAMS-HWVPYECMSA-N  

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
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0835 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0129 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0792 0.151
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2703 0.539
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.2166 0.4427
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2703 0.5652
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2703 0.2703
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0835 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0792 0.1287
Brugia malayi hypothetical protein 0.0026 0.0835 0.0835
Echinococcus granulosus zinc finger protein 0.0022 0.0488 0.0592
Brugia malayi Bromodomain containing protein 0.0086 0.6175 0.6175
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2703 0.2531
Loa Loa (eye worm) hypothetical protein 0.0081 0.5736 0.5636
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0596 0.0376
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.4605 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0229 0.0366
Schistosoma mansoni hypothetical protein 0.0024 0.0596 0.1112
Loa Loa (eye worm) hypothetical protein 0.0049 0.2855 0.2688
Brugia malayi PHD-finger family protein 0.0029 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0047 0.2659 0.2487
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0835 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2703 0.5652
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0835 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2703 0.5652
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0229 0.0366
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0292 0.0064
Brugia malayi Bromodomain containing protein 0.0044 0.2409 0.2409
Loa Loa (eye worm) hypothetical protein 0.0026 0.0835 0.062
Schistosoma mansoni bromodomain containing protein 0.0073 0.4972 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0835 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2703 0.5652
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0835 0.5
Schistosoma mansoni zinc finger protein 0.0022 0.0488 0.0891
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.2166 0.4427
Leishmania major hypothetical protein, conserved 0.0026 0.0835 1
Echinococcus multilocularis zinc finger protein 0.0022 0.0488 0.0592
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0835 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0229 0.0366
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2703 0.539
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0792 0.1287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2703 0.539
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0229 0.0366
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.4605 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.2416 0.2239

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against Cryptococcus neoformans ChEMBL. 21802287
Activity (functional) Antimicrobial activity against Candida albicans ChEMBL. 21802287

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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