Detailed information for compound 200920

Basic information

Technical information
  • TDR Targets ID: 200920
  • Name: isocurcumenol
  • MW: 234.334 | Formula: C15H22O2
  • H donors: 1 H acceptors: 1 LogP: 2.23 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C1C[C@@]23O[C@@]1(O)CC(=C)[C@@H]3CC[C@@H]2C)C
  • InChi: 1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3/t11-,12-,14-,15+/m0/s1
  • InChiKey: DEBDFZGNZTYPMF-NZBPQXDJSA-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 tyrosine kinase 0.0123 0.617 0.617
Brugia malayi Protein kinase domain containing protein 0.0123 0.617 0.617
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.014 1 0.5
Echinococcus multilocularis tyrosine kinase 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Fyn 0.0123 0.617 0.617
Giardia lamblia Proteasome subunit beta type 5 precursor 0.014 1 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0123 0.617 0.617
Schistosoma mansoni tyrosine kinase 0.0123 0.617 0.617
Schistosoma mansoni tyrosine kinase 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Src42A 0.0123 0.617 0.617
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.014 1 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0123 0.617 0.617
Brugia malayi SH2 domain containing protein 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Plasmodium falciparum proteasome subunit beta type-5 0.014 1 0.5
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.014 1 1
Leishmania major proteasome beta 5 subunit, putative 0.014 1 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.0123 0.617 0.617
Echinococcus granulosus c src tyrosine kinase 0.0123 0.617 0.617
Brugia malayi SRC-1 0.0123 0.617 0.617
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Fyn 0.0123 0.617 0.617
Brugia malayi SH2 domain containing protein 0.0123 0.617 0.617
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0123 0.617 0.617
Loa Loa (eye worm) SRC-1 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0123 0.617 0.617
Echinococcus multilocularis proteasome (prosome, macropain) 0.014 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.014 1 0.5
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0123 0.617 0.617
Schistosoma mansoni tyrosine kinase 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Loa Loa (eye worm) TK/ABL protein kinase 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Srms 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Toxoplasma gondii proteasome subunit beta type, putative 0.014 1 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0123 0.617 0.617
Echinococcus granulosus tyrosine kinase 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Fyn 0.0123 0.617 0.617
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.014 1 0.5
Onchocerca volvulus 0.0123 0.617 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0123 0.617 0.617
Brugia malayi protein-tyrosine kinase 0.0123 0.617 0.617
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0123 0.617 0.617
Onchocerca volvulus 0.0123 0.617 1
Onchocerca volvulus 0.0123 0.617 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0123 0.617 0.617
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.014 1 1
Echinococcus granulosus proteasome prosome macropain 0.014 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase shark 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0123 0.617 0.617
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Srms 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Abl 0.0123 0.617 0.617
Brugia malayi Protein kinase domain containing protein 0.0123 0.617 0.617
Loa Loa (eye worm) TK/FER protein kinase 0.0123 0.617 0.617
Onchocerca volvulus 0.0123 0.617 1
Onchocerca volvulus 0.0123 0.617 1
Brugia malayi Protein kinase domain containing protein 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Src64B 0.0123 0.617 0.617
Loa Loa (eye worm) TK protein kinase 0.0123 0.617 0.617
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0123 0.617 0.617
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0123 0.617 0.617
Brugia malayi Protein kinase domain containing protein 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase ABL1 0.0123 0.617 0.617
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0123 0.617 0.617
Brugia malayi hypothetical protein 0.0123 0.617 0.617
Onchocerca volvulus 0.0123 0.617 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.014 1 0.5
Plasmodium vivax proteasome subunit beta type-5, putative 0.014 1 0.5
Mycobacterium ulcerans proteasome PrcB 0.014 1 0.5
Echinococcus granulosus tyrosine kinase 0.0123 0.617 0.617
Mycobacterium leprae proteasome (beta subunit) PrcB 0.014 1 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Lyn 0.0123 0.617 0.617
Schistosoma mansoni tyrosine kinase 0.0123 0.617 0.617
Brugia malayi Tyrosine-protein kinase abl-1 0.0123 0.617 0.617
Schistosoma mansoni tyrosine kinase 0.0123 0.617 0.617
Echinococcus granulosus tyrosine protein kinase Blk 0.0123 0.617 0.617
Brugia malayi Protein kinase domain containing protein 0.0123 0.617 0.617

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 14.2 % In vitro hepatocytotoxicity induced by D-GalN in primary cultured rat hepatocytes at a concentration of 10e-4 M ChEMBL. 9871681
Inhibition (functional) = 36.5 % In vitro inhibitory activity on the production of nitric oxide (NO) induced by LPS in mouse peritoneal macrophages at a concentration of 10e-4 M ChEMBL. 9871681
Inhibition (functional) = 77.3 % In vivo inhibitory activity on the increase of serum GPT induced by D-GalN / LPS (liver injury) in mice at 50 mg/kg peroral administation ChEMBL. 9871681
Inhibition (functional) = 80.2 % In vivo inhibitory activity on the increase of serum GOT induced by D-GalN / LPS (liver injury) in mice at 50 mg/kg peroral administation ChEMBL. 9871681

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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