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

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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