Detailed information for compound 158035

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.489 | Formula: C26H27FO3
  • H donors: 2 H acceptors: 3 LogP: 6.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccc2c(c1)ccc(c2)C(=O)O)c1cc(F)c2c(c1)C(C)(C)CCC2(C)C
  • InChi: 1S/C26H27FO3/c1-25(2)9-10-26(3,4)22-20(25)13-19(14-21(22)27)23(28)17-7-5-16-12-18(24(29)30)8-6-15(16)11-17/h5-8,11-14,23,28H,9-10H2,1-4H3,(H,29,30)
  • InChiKey: SEEUJUNLPYMQES-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Giardia lamblia Kinase, CMGC DYRK 0.0266 0.688 0.5
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0341 0.9888 1
Loa Loa (eye worm) haspin protein kinase 0.0341 0.9888 0.9888
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0266 0.688 0.5
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0266 0.688 1
Echinococcus granulosus dual specificity 0.0266 0.688 0.6923
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0266 0.688 1
Loa Loa (eye worm) haspin protein kinase 0.0341 0.9888 0.9888
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.688 0.5
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0266 0.688 0.6923
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.688 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.688 0.5
Brugia malayi hypothetical protein 0.0341 0.9888 1
Echinococcus multilocularis dual specificity 0.0266 0.688 0.6923
Echinococcus multilocularis dual specificity 0.0266 0.688 0.6923
Entamoeba histolytica protein kinase domain containing protein 0.0266 0.688 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0341 0.9888 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0341 0.9888 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0341 0.9888 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0341 0.9888 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0097 0.0112 0.0112
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.688 0.5
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0266 0.688 1
Echinococcus multilocularis dual specificity 0.0266 0.688 0.6923
Schistosoma mansoni serine/threonine protein kinase 0.0266 0.688 0.6923
Schistosoma mansoni hypothetical protein 0.0341 0.9888 1
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.688 0.5
Echinococcus granulosus dual specificity 0.0266 0.688 0.6923
Brugia malayi GSG2 0.0341 0.9888 1
Echinococcus granulosus dual specificity 0.0266 0.688 0.6923
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0266 0.688 0.688
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.688 0.5
Entamoeba histolytica protein kinase, putative 0.0266 0.688 1

Activities

Activity type Activity value Assay description Source Reference
EC50 ratio (binding) Transcriptional activation activity against retinoic acid receptor RAR alpha; Not active ChEMBL. No reference
EC50 ratio (binding) Transcriptional activation activity against retinoic acid receptor RAR gamma; Not active ChEMBL. No reference
EC50 ratio (binding) Transcriptional activation activity against retinoic acid receptor RAR beta; Not active ChEMBL. No reference
EC50 ratio (binding) 0 Transcriptional activation activity against retinoic acid receptor RAR alpha; Not active ChEMBL. No reference
EC50 ratio (binding) 0 Transcriptional activation activity against retinoic acid receptor RAR beta; Not active ChEMBL. No reference
EC50 ratio (binding) 0 Transcriptional activation activity against retinoic acid receptor RAR gamma; Not active ChEMBL. No reference
Max (binding) = 0 % Maximum retinoic acid receptor (RAR)-alpha transactivation activity relative to retinoic acid at 10e-6 M ChEMBL. No reference
Max (binding) = 0 % Maximum retinoic acid receptor (RAR)-beta transactivation activity relative to retinoic acid at 10e-6 M ChEMBL. No reference
Max (binding) = 0 % Maximum RAR-gamma transactivation activity relative to retinoic acid at 10e-6 M ChEMBL. No reference
Max (binding) = 0 % Maximum retinoic acid receptor (RAR)-alpha transactivation activity relative to retinoic acid at 10e-6 M ChEMBL. No reference
Max (binding) = 0 % Maximum retinoic acid receptor (RAR)-beta transactivation activity relative to retinoic acid at 10e-6 M ChEMBL. No reference
Max (binding) = 0 % Maximum RAR-gamma transactivation activity relative to retinoic acid at 10e-6 M ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.