Detailed information for compound 1016898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 520.656 | Formula: C32H40O6
  • H donors: 2 H acceptors: 4 LogP: 4.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=CC[C@]12O[C@H]1[C@@H](O)C/C(=C\1/C=C(C)C[C@]3(/C1=C\C(=C)C)C[C@H](O)[C@H]1[C@](C3=O)(CC=C(C)C)O1)/C2=O)C
  • InChi: 1S/C32H40O6/c1-17(2)8-10-31-26(35)22(14-24(33)27(31)37-31)21-13-20(7)15-30(23(21)12-19(5)6)16-25(34)28-32(38-28,29(30)36)11-9-18(3)4/h8-9,12-13,24-25,27-28,33-34H,5,10-11,14-16H2,1-4,6-7H3/b22-21+,23-12-/t24-,25-,27-,28-,30+,31+,32-/m0/s1
  • InChiKey: LJTKUBXRWULZKS-PDIAYQMFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 pyruvate kinase 0.007 0.0247 0.0233
Brugia malayi Pyruvate kinase, M2 isozyme 0.007 0.0247 0.1132
Loa Loa (eye worm) pyruvate kinase-PB 0.0049 0.0103 0.047
Schistosoma mansoni pyruvate kinase 0.007 0.0247 0.0247
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.0305 1
Schistosoma mansoni hypothetical protein 0.0092 0.0396 0.0396
Echinococcus multilocularis lysosomal alpha glucosidase 0.0353 0.2185 0.2173
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0107 0.0489
Echinococcus granulosus muscleblind protein 0.0146 0.0765 0.0751
Echinococcus multilocularis pyruvate kinase 0.007 0.0247 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0305 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0074 0.006
Echinococcus granulosus tumor protein p63 0.0335 0.2057 0.2045
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0074 0.0339
Schistosoma mansoni alpha glucosidase 0.0078 0.0305 0.0305
Echinococcus multilocularis FTZ F1 alpha 0.0114 0.0551 0.0537
Brugia malayi Pyruvate kinase, muscle isozyme 0.007 0.0247 0.1132
Brugia malayi Glycosyl hydrolases family 31 protein 0.0353 0.2185 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.0305 1
Brugia malayi Muscleblind-like protein 0.0146 0.0765 0.3501
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.0305 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0078 0.0305 0.0291
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.007 0.0247 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0074 0.0339
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0074 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0074 0.0074
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.0305 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0078 0.0305 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0103 0.047
Schistosoma mansoni alpha-glucosidase 0.0304 0.1848 0.1848
Echinococcus multilocularis microtubule associated protein 2 0.1496 1 1
Leishmania major alpha glucosidase II subunit, putative 0.0078 0.0305 1
Schistosoma mansoni pyruvate kinase 0.007 0.0247 0.0247
Echinococcus multilocularis lysosomal alpha glucosidase 0.0353 0.2185 0.2173
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.0305 1
Echinococcus granulosus pyruvate kinase 0.007 0.0247 0.0233
Mycobacterium leprae Probable pyruvate kinase PykA 0.007 0.0247 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0078 0.0305 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.0305 1
Onchocerca volvulus 0.0204 0.1166 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0078 0.0305 1
Loa Loa (eye worm) pyruvate kinase 0.007 0.0247 0.1132
Brugia malayi Glycosyl hydrolases family 31 protein 0.0078 0.0305 0.1397
Echinococcus multilocularis pyruvate kinase 0.007 0.0247 0.0233
Loa Loa (eye worm) hypothetical protein 0.0049 0.0104 0.0477
Loa Loa (eye worm) hypothetical protein 0.0146 0.0765 0.3501
Plasmodium falciparum pyruvate kinase 0.007 0.0247 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0074 0.006
Giardia lamblia Pyruvate kinase 0.007 0.0247 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0107 0.0489
Mycobacterium ulcerans pyruvate kinase 0.007 0.0247 0.5
Schistosoma mansoni microtubule-associated protein tau 0.1496 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0353 0.2185 0.2173
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0247 0.1349
Plasmodium vivax pyruvate kinase, putative 0.007 0.0247 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0305 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0104 0.0104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0074 0.006
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0247 0.1349
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0114 0.0551 0.0551
Echinococcus multilocularis pyruvate kinase 0.0055 0.0147 0.0132
Trypanosoma brucei glucosidase, putative 0.0078 0.0305 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0353 0.2185 1
Chlamydia trachomatis pyruvate kinase 0.007 0.0247 0.5
Loa Loa (eye worm) pyruvate kinase 0.007 0.0247 0.1132
Loa Loa (eye worm) hypothetical protein 0.0146 0.0765 0.3501
Loa Loa (eye worm) hypothetical protein 0.007 0.0247 0.1132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0114 0.0551 0.252
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0114 0.0551 0.0537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0074 0.006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0107 0.0489
Loa Loa (eye worm) hypothetical protein 0.0114 0.0551 0.252
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.0305 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0074 0.0074
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0765 0.0751
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.0305 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0015 0.0015
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0078 0.0305 0.1397
Echinococcus multilocularis tumor protein p63 0.0335 0.2057 0.2045
Loa Loa (eye worm) pyruvate kinase 0.007 0.0247 0.1132
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0107 0.0489
Echinococcus granulosus neutral alpha glucosidase AB 0.0078 0.0305 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0114 0.0551 0.252
Echinococcus granulosus FTZ F1 alpha 0.0454 0.2873 0.2863
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0114 0.0551 0.0537
Echinococcus multilocularis muscleblind protein 0.0146 0.0765 0.0751
Schistosoma mansoni alpha-glucosidase 0.0304 0.1848 0.1848
Toxoplasma gondii pyruvate kinase PyK1 0.007 0.0247 0.801
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0247 0.1349

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.