Detailed information for compound 949359

Basic information

Technical information
  • TDR Targets ID: 949359
  • Name: (1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-e n-2-yl)cyclohexane
  • MW: 204.351 | Formula: C15H24
  • H donors: 0 H acceptors: 0 LogP: 6.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C
  • InChi: 1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
  • InChiKey: OPFTUNCRGUEPRZ-QLFBSQMISA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane
  • (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane
  • BETA-ELEMENE
  • SDP-111
  • nchembio.2007.29-comp11

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
Entamoeba histolytica hypothetical protein 0.0178 0.3247 0.4217
Entamoeba histolytica protein kinase domain containing protein 0.0075 0.0364 0.0147
Loa Loa (eye worm) hypothetical protein 0.0116 0.1511 0.1511
Trichomonas vaginalis CMGC family protein kinase 0.0323 0.7343 1
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0116 0.1511 0.1259
Loa Loa (eye worm) microfilarial chitinase 0.0071 0.0248 0.0248
Loa Loa (eye worm) chitinase I 0.0073 0.0303 0.0303
Entamoeba histolytica chitinase, putative 0.0073 0.0303 0.0061
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0116 0.1511 0.1298
Plasmodium falciparum conserved protein, unknown function 0.0116 0.1511 1
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0075 0.0364 0.0108
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0178 0.3247 0.413
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0178 0.3247 0.3247
Onchocerca volvulus Putative endochitinase 0.0082 0.0551 0.2052
Trichomonas vaginalis CMGC family protein kinase 0.0323 0.7343 1
Echinococcus granulosus mitogen activated protein kinase 15 0.0075 0.0364 0.0108
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0323 0.7343 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0414 0.9896 1
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0075 0.0364 0.0087
Loa Loa (eye worm) haspin protein kinase 0.0414 0.9896 0.9896
Onchocerca volvulus 0.0116 0.1511 1
Echinococcus multilocularis dual specificity 0.0323 0.7343 0.7351
Echinococcus granulosus serine:threonine protein kinase haspin 0.0414 0.9896 1
Plasmodium vivax hypothetical protein, conserved 0.0116 0.1511 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.1511 0.1511
Echinococcus multilocularis dual specificity 0.0323 0.7343 0.7351
Trichomonas vaginalis CMGC family protein kinase 0.0323 0.7343 1
Trichomonas vaginalis CMGC family protein kinase 0.0323 0.7343 1
Brugia malayi endochitinase 0.0082 0.0551 0.0258
Onchocerca volvulus Putative endochitinase 0.0082 0.0551 0.2052
Trichomonas vaginalis CMGC family protein kinase 0.0323 0.7343 1
Onchocerca volvulus 0.0116 0.1511 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0178 0.3247 0.413
Entamoeba histolytica protein kinase domain containing protein 0.0323 0.7343 1
Entamoeba histolytica protein kinase, putative 0.0178 0.3247 0.4217
Echinococcus granulosus dual specificity 0.0323 0.7343 0.7351
Schistosoma mansoni serine/threonine protein kinase 0.0075 0.0364 0.0108
Onchocerca volvulus Putative endochitinase 0.0082 0.0551 0.2052
Echinococcus granulosus dual specificity 0.0178 0.3247 0.3099
Schistosoma mansoni serine/threonine kinase 0.0075 0.0364 0.0108
Echinococcus multilocularis dual specificity 0.0178 0.3247 0.3099
Leishmania major serine/threonine kinase-like protein, putative 0.0075 0.0364 0.0087
Schistosoma mansoni hypothetical protein 0.0414 0.9896 1
Echinococcus multilocularis dual specificity 0.0323 0.7343 0.7351
Brugia malayi Endochitinase 0.0082 0.0551 0.0258
Brugia malayi cyclin-dependent kinase 7 homolog 0.0075 0.0364 0.0064
Schistosoma mansoni protein kinase 0.0075 0.0364 0.0108
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0075 0.0364 0.0364
Mycobacterium ulcerans chitinase/cellulase 0.0062 0 0.5
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0323 0.7343 0.7339
Entamoeba histolytica protein kinase domain containing protein 0.0178 0.3247 0.4217
Echinococcus granulosus dual specificity 0.0323 0.7343 0.7351
Schistosoma mansoni hypothetical protein 0.0116 0.1511 0.1298
Brugia malayi Protein kinase domain containing protein 0.0178 0.3247 0.3069
Loa Loa (eye worm) hypothetical protein 0.0174 0.3142 0.3142
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0178 0.3247 0.413
Giardia lamblia Kinase, CMGC DYRK 0.0323 0.7343 1
Trichomonas vaginalis CMGC family protein kinase 0.0323 0.7343 1
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0075 0.0364 0.0108
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0323 0.7343 1
Schistosoma mansoni serine/threonine protein kinase 0.0323 0.7343 0.7351
Schistosoma mansoni serine/threonine protein kinase 0.0178 0.3247 0.3099
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0323 0.7343 0.7343
Loa Loa (eye worm) hypothetical protein 0.0174 0.3142 0.3142
Brugia malayi Cell division protein kinase 2 0.0075 0.0364 0.0064
Mycobacterium tuberculosis Possible chitinase 0.0062 0 0.5
Echinococcus granulosus serine:threonine protein kinase haspin 0.0414 0.9896 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0414 0.9896 1
Echinococcus granulosus dual specificity 0.0323 0.7343 0.7351
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0116 0.1511 0.1298
Loa Loa (eye worm) cuticular endochitinase 0.0073 0.0303 0.0303
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0414 0.9896 1
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0323 0.7343 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0075 0.0364 0.0147
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0075 0.0364 0.0108
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0178 0.3247 0.4181
Loa Loa (eye worm) haspin protein kinase 0.0414 0.9896 0.9896
Brugia malayi Protein kinase domain containing protein 0.0075 0.0364 0.0064
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0075 0.0364 0.0364
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0323 0.7343 1
Entamoeba histolytica protein kinase, putative 0.0323 0.7343 1
Brugia malayi hypothetical protein 0.0414 0.9896 1
Mycobacterium ulcerans chitinase/cellulase 0.0062 0 0.5
Echinococcus granulosus cyclin dependent kinase 9 0.0075 0.0364 0.0108
Echinococcus multilocularis cyclin dependent kinase 9 0.0075 0.0364 0.0108
Brugia malayi GSG2 0.0414 0.9896 1
Echinococcus granulosus serine:threonine protein kinase NLK 0.0075 0.0364 0.0108
Entamoeba histolytica protein kinase, putative 0.0178 0.3247 0.4217

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 236.2 uM Antiproliferative activity against human HeLa cells after 24 hrs by WST-1 assay ChEMBL. 19128976

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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