Detailed information for compound 1867517

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 536.828 | Formula: C36H56O3
  • H donors: 1 H acceptors: 2 LogP: 11.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)c1ccc(cc1)C[C@@H]1[C@H](O)CC[C@]2(C1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C)C
  • InChi: 1S/C36H56O3/c1-23(2)8-7-9-24(3)29-16-17-30-27-14-15-31-28(22-25-10-12-26(13-11-25)34(38)39-6)33(37)19-21-36(31,5)32(27)18-20-35(29,30)4/h10-13,23-24,27-33,37H,7-9,14-22H2,1-6H3/t24-,27+,28+,29-,30+,31?,32+,33-,35-,36+/m1/s1
  • InChiKey: BOQWZBZIUSXKGW-XKHFQERNSA-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 lactate dehydrogenase a 0.0839 1 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0839 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Plasmodium vivax malate dehydrogenase, putative 0.0839 1 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0326 0 0.5
Plasmodium falciparum malate dehydrogenase 0.0839 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0326 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0326 0 0.5
Echinococcus granulosus L lactate dehydrogenase 0.0513 0.3641 0.3641
Trypanosoma brucei cytosolic malate dehydrogenase 0.0326 0 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0326 0 0.5
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0326 0 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0326 0 0.5
Echinococcus granulosus lactate dehydrogenase a 0.0839 1 1
Echinococcus multilocularis L lactate dehydrogenase 0.0513 0.3641 0.3641
Echinococcus granulosus lactate dehydrogenase protein 0.0839 1 1
Plasmodium vivax lactate dehydrogenase 0.0839 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Trypanosoma brucei malate dehydrogenase-related 0.0326 0 0.5
Toxoplasma gondii lactate dehydrogenase LDH2 0.0839 1 0.5
Schistosoma mansoni malate dehydrogenase 0.0839 1 1
Schistosoma mansoni L-lactate dehydrogenase 0.0839 1 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0326 0 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0839 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Giardia lamblia Malate dehydrogenase 0.0326 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Mycobacterium ulcerans malate dehydrogenase 0.0326 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0839 1 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0839 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0839 1 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0326 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Echinococcus granulosus lactate dehydrogenase a 0.0839 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0326 0 0.5
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0326 0 0.5
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0326 0 0.5
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0326 0 0.5
Plasmodium falciparum L-lactate dehydrogenase 0.0839 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0326 0 0.5
Entamoeba histolytica malate dehydrogenase, putative 0.0839 1 1
Chlamydia trachomatis malate dehydrogenase 0.0326 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0839 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Trypanosoma cruzi malate dehydrogenase, putative 0.0326 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0326 0 0.5
Toxoplasma gondii lactate dehydrogenase LDH1 0.0839 1 0.5
Toxoplasma gondii malate dehydrogenase MDH 0.0839 1 0.5
Echinococcus granulosus L lactate dehydrogenase B chain 0.0839 1 1
Leishmania major malate dehydrogenase, putative 0.0839 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0326 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC30 (binding) = 14 uM Capability of derepressing the transcription of human Low density lipoprotein receptor promoter in the presence of 25-hydroxycholesterol in CHO cells by luciferase assay ChEMBL. 7830271
MA (binding) = 48 % Capability of derepressing the transcription of Low density lipoprotein receptor promoter in the presence of 25-hydroxycholesterol in CHO cells measured as maximum activity at 20 ug/mL ChEMBL. 7830271

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

1 literature reference was collected for this gene.

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