Detailed information for compound 915843

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 250.333 | Formula: C15H22O3
  • H donors: 2 H acceptors: 3 LogP: 1.49 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(C)[C@]2(O)C[C@@H]3C(=CC[C@@H]3C)[C@@]1(C)CC2=O
  • InChi: 1S/C15H22O3/c1-9-4-5-11-10(9)6-15(18)12(17)7-13(11,2)14(15,3)8-16/h5,9-10,16,18H,4,6-8H2,1-3H3/t9-,10-,13+,14?,15-/m0/s1
  • InChiKey: LUADJIBUFOIMNV-HTSBLVJZSA-N  

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
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0181 0.0188 0.0426
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.043 0.3115 0.4257
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0181 0.0188 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0541 0.4411 0.4762
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.024 0.0879 0.1005
Loa Loa (eye worm) hypothetical protein 0.035 0.2175 0.2499
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0541 0.4411 1
Loa Loa (eye worm) hypothetical protein 0.019 0.0301 0.0346
Echinococcus multilocularis sphingosine kinase 1 0.0767 0.7064 0.6248
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0371 0.2424 0.5294
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0525 0.4223 0.5868
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0541 0.4411 1
Schistosoma mansoni sphingosine kinase A B 0.0767 0.7064 0.7008
Entamoeba histolytica hypothetical protein, conserved 0.0767 0.7064 1
Brugia malayi Serotonin receptor 0.0936 0.9056 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1017 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0541 0.4411 1
Echinococcus granulosus sphingosine kinase 1 0.0767 0.7064 0.6248
Loa Loa (eye worm) hypothetical protein 0.0767 0.7064 0.8116
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0541 0.4411 0.6142
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0541 0.4411 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1017 1 1
Mycobacterium tuberculosis Conserved protein 0.0767 0.7064 0.5
Entamoeba histolytica hypothetical protein 0.043 0.3115 0.4257
Mycobacterium ulcerans hypothetical protein 0.0767 0.7064 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.035 0.2175 0.2241
Schistosoma mansoni sphingoid long chain base kinase 0.0767 0.7064 0.7008
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0371 0.2424 0.5294
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0261 0.1128 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0906 0.8704 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0476 0.3654 0.3909
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0541 0.4411 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.951 uM Cytotoxicity against human A549 cells after 72 hrs by SRB assay ChEMBL. 24931277

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24931277

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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