Detailed information for compound 977774

Basic information

Technical information
  • TDR Targets ID: 977774
  • Name: (1S,2R,4S)-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+/m0/s1
  • InChiKey: OPFTUNCRGUEPRZ-RRFJBIMHSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (1S,2R,4S)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane
  • (1S,2R,4S)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane
  • (-)-cis-.beta.-Elemene

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

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.92 ug ml-1 Cytotoxicity against mouse P388 cells after 3 days by MTT assay ChEMBL. 10579864
ED50 (functional) > 50 ug ml-1 Cytotoxicity against human HT-29 cells after 6 days by MTT assay ChEMBL. 10579864
ED50 (functional) > 50 ug ml-1 Cytotoxicity against human A549 cells after 6 days by MTT assay ChEMBL. 10579864
ED50 (functional) > 50 ug ml-1 Cytotoxicity against human KB cells after 3 days by MTT assay ChEMBL. 10579864

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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