Detailed information for compound 318346

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.495 | Formula: C21H34
  • H donors: 0 H acceptors: 0 LogP: 8.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC[C@@H]1C[C@]2(CCC1C(=C)C)[C@@H]1CC3C[C@H]2C[C@@H](C1)C3
  • InChi: 1S/C21H34/c1-4-5-17-13-21(7-6-20(17)14(2)3)18-9-15-8-16(11-18)12-19(21)10-15/h15-20H,2,4-13H2,1,3H3/t15-,16?,17-,18+,19-,20?,21-/m1/s1
  • InChiKey: DYQIJNXBUDODDH-SPABQKEVSA-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
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0155952 0.855966 0.854057
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0155952 0.855966 0.855966
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0155952 0.855966 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.00557856 0.0813776 0.0692004
Onchocerca volvulus Matrilysin homolog 0.00452622 0 0.5
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0155952 0.855966 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.00957072 0.390092 0.5
Schistosoma mansoni tyrosine kinase 0.00928095 0.367684 0.359302
Echinococcus multilocularis 0.00540357 0.0678456 0.055489
Echinococcus granulosus epidermal growth factor receptor 0.0174578 1 1
Brugia malayi Protein kinase domain containing protein 0.00557856 0.0813776 0.0692004
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0155952 0.855966 0.854057
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0155952 0.855966 1
Schistosoma mansoni tyrosine kinase 0.0174578 1 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.00452622 0 0.5
Loa Loa (eye worm) matrixin family protein 0.00493429 0.0315559 0.0315559
Brugia malayi Matrixin family protein 0.00493429 0.0315559 0.0187183
Schistosoma mansoni tyrosine kinase 0.00937991 0.375337 0.367056
Echinococcus multilocularis epidermal growth factor receptor 0.0174578 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.00957072 0.390092 0.390092
Echinococcus granulosus protein farnesyltransferase subunit beta 0.00957072 0.390092 0.382007
Schistosoma mansoni dihydroceramide desaturase 0.0123551 0.605413 0.600182
Schistosoma mansoni tyrosine kinase 0.00557856 0.0813776 0.0692004
Echinococcus multilocularis epidermal growth factor receptor 0.00937991 0.375337 0.367056
Brugia malayi Furin-like cysteine rich region family protein 0.0174578 1 1
Schistosoma mansoni tyrosine kinase 0.00928095 0.367684 0.359302
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.00792312 0.262683 0.252909
Echinococcus multilocularis disintegrin and metalloproteinase 0.0123551 0.605413 0.600182
Brugia malayi Disintegrin family protein 0.0123551 0.605413 0.600182
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.00957072 0.390092 0.382007
Loa Loa (eye worm) TK/EGFR protein kinase 0.0174578 1 1
Echinococcus granulosus epidermal growth factor receptor 0.00937991 0.375337 0.367056
Loa Loa (eye worm) hypothetical protein 0.00792312 0.262683 0.262683
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.00741979 0.22376 0.21347
Echinococcus granulosus disintegrin and metalloproteinase 0.0123551 0.605413 0.600182
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0155952 0.855966 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.00937991 0.375337 0.367056
Toxoplasma gondii hypothetical protein 0.012676 0.630224 1
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.00792312 0.262683 0.252909
Schistosoma mansoni tyrosine kinase 0.00928095 0.367684 0.359302
Loa Loa (eye worm) hypothetical protein 0.0155952 0.855966 0.855966
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.00957072 0.390092 0.382007
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0155952 0.855966 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.00557856 0.0813776 0.0692004
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.012676 0.630224 0.515443
Schistosoma mansoni tyrosine kinase 0.00937991 0.375337 0.367056
Trypanosoma cruzi protein farnesyltransferase, putative 0.00957072 0.390092 0.5
Echinococcus multilocularis insulin receptor 0.00557856 0.0813776 0.0692004
Schistosoma mansoni protein farnesyltransferase subunit beta 0.00957072 0.390092 0.382007
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0155952 0.855966 1
Trypanosoma brucei protein farnesyltransferase beta subunit 0.00957072 0.390092 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.00741979 0.22376 0.21347
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.00484672 0.0247842 0.0118568
Schistosoma mansoni tyrosine kinase 0.00557856 0.0813776 0.0692004
Echinococcus granulosus insulin receptor 0.00557856 0.0813776 0.0692004
Leishmania major farnesyltransferase beta subunit 0.00957072 0.390092 0.5
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0155952 0.855966 0.854057
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0155952 0.855966 0.854057
Loa Loa (eye worm) disintegrin family protein 0.00966253 0.397192 0.397192
Plasmodium vivax farnesyltransferase beta subunit, putative 0.00957072 0.390092 0.26624
Giardia lamblia Rab geranylgeranyltransferase 0.0155952 0.855966 1
Loa Loa (eye worm) TK/INSR protein kinase 0.00557856 0.0813776 0.0813776

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.8 nM In vitro inhibitory concentration of the compound against Plasmodium falciparum K1 strain (0.00053 ug/mL) ChEMBL. 15664819
IC50 (functional) = 1.8 nM In vitro inhibitory concentration of the compound against Plasmodium falciparum K1 strain (0.00053 ug/mL) ChEMBL. 15664819
IC50 (functional) = 1.4 ug ml-1 In vitro cytotoxicity of the compound against mammalian L-6 cell line ChEMBL. 15664819

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 15664819

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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