Detailed information for compound 1720531

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 234.334 | Formula: C15H22O2
  • H donors: 1 H acceptors: 1 LogP: 3.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)O)[C@@H](CC[C@H]1OC1(C)C)C
  • InChi: 1S/C15H22O2/c1-10-5-7-12(13(16)9-10)11(2)6-8-14-15(3,4)17-14/h5,7,9,11,14,16H,6,8H2,1-4H3/t11-,14-/m1/s1
  • InChiKey: UQPUIYSLIAOKCT-BXUZGUMPSA-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
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0107 0.0124 0.0623
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0107 0.0124 0.0124
Echinococcus multilocularis transfer RNA-Phe 0.0107 0.0124 0.0124
Schistosoma mansoni cell adhesion molecule 0.0107 0.0124 0.1093
Echinococcus granulosus titin 0.0111 0.0133 0.0133
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0502 0.1133 0.5703
Onchocerca volvulus 0.0107 0.0124 0.1093
Schistosoma mansoni cell adhesion molecule 0.0107 0.0124 0.1093
Loa Loa (eye worm) hypothetical protein 0.0107 0.0124 0.0623
Schistosoma mansoni myosin-binding protein-related 0.0107 0.0124 0.1093
Echinococcus granulosus nephrin 0.0107 0.0124 0.0124
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0502 0.1133 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0107 0.0124 0.0124
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Loa Loa (eye worm) hypothetical protein 0.0107 0.0124 0.0623
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0111 0.0133 0.0671
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0107 0.0124 0.0623
Onchocerca volvulus 0.0111 0.0133 0.1177
Echinococcus multilocularis vesicular acetylcholine transporter 0.0502 0.1133 0.1133
Echinococcus granulosus roundabout 2 0.0107 0.0124 0.0124
Schistosoma mansoni titin 0.0111 0.0133 0.1177
Echinococcus multilocularis titin 0.0111 0.0133 0.0133
Schistosoma mansoni neuroglian 0.0107 0.0124 0.1093
Schistosoma mansoni vesicular acetylcholine transporter 0.0502 0.1133 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0107 0.0124 0.0623
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0107 0.0124 0.0124
Brugia malayi vesicular acetylcholine transporter unc-17 0.0502 0.1133 0.5703
Echinococcus multilocularis roundabout 2 0.0107 0.0124 0.0124
Echinococcus multilocularis roundabout 2 0.0107 0.0124 0.0124
Echinococcus multilocularis roundabout 2 0.0107 0.0124 0.0124
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Echinococcus granulosus roundabout 2 0.0107 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0107 0.0124 0.1093
Loa Loa (eye worm) hypothetical protein 0.0107 0.0124 0.0623
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Schistosoma mansoni nephrin 0.0107 0.0124 0.1093
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0107 0.0124 0.0124
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.0133 0.1177
Echinococcus granulosus roundabout 2 0.0107 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0427 0.0943 0.4743
Echinococcus multilocularis myosin light chain kinase, smooth muscle 0.3971 1 1
Brugia malayi protein unc-22 0.0111 0.0133 0.0671
Leishmania major C-8 sterol isomerase-like protein 0.0836 0.1988 1
Echinococcus granulosus serine:threonine protein kinase 0.3971 1 1
Schistosoma mansoni cell adhesion molecule 0.0107 0.0124 0.1093
Trypanosoma brucei C-8 sterol isomerase, putative 0.0836 0.1988 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0836 0.1988 1
Echinococcus multilocularis serine:threonine protein kinase 0.3971 1 1
Loa Loa (eye worm) hypothetical protein 0.0836 0.1988 1
Echinococcus granulosus vesicular acetylcholine transporter 0.0502 0.1133 0.1133
Loa Loa (eye worm) CAMK protein kinase 0.0111 0.0133 0.0671
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0107 0.0124 0.0124
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0107 0.0124 0.0623
Brugia malayi Immunoglobulin I-set domain containing protein 0.0111 0.0133 0.0671
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0107 0.0124 0.0124
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0111 0.0133 0.0671
Echinococcus granulosus neuroglian 0.0107 0.0124 0.0124
Echinococcus granulosus contactin 0.0107 0.0124 0.0124
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0107 0.0124 0.1093
Schistosoma mansoni nephrin 0.0107 0.0124 0.1093
Schistosoma mansoni hemicentin 0.0107 0.0124 0.1093
Echinococcus granulosus titin 0.0111 0.0133 0.0133
Schistosoma mansoni titin 0.0107 0.0124 0.1093
Schistosoma mansoni cell adhesion molecule 0.0107 0.0124 0.1093
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623
Loa Loa (eye worm) projectin 0.0107 0.0124 0.0623
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0836 0.1988 1
Echinococcus multilocularis neuroglian 0.0107 0.0124 0.0124
Onchocerca volvulus 0.0107 0.0124 0.1093
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.0124 0.0623

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 49.3 % Antiproliferative activity against human Jurkat cells assessed as 5th generation cell population at 10 uM after 24 hrs using CFSE staining by flow cytometry (Rvb = 18.43 %) ChEMBL. 23063518

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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