Detailed information for compound 56911

Basic information

Technical information
  • TDR Targets ID: 56911
  • Name: 2-(4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1 -yl)-1-phenylethanol
  • MW: 325.365 | Formula: C17H19N5O2
  • H donors: 1 H acceptors: 4 LogP: 1.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)Cn1ncc2c1ncnc2N1CCOCC1
  • InChi: 1S/C17H19N5O2/c23-15(13-4-2-1-3-5-13)11-22-17-14(10-20-22)16(18-12-19-17)21-6-8-24-9-7-21/h1-5,10,12,15,23H,6-9,11H2
  • InChiKey: RNYJMLWRQHOOTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-morpholinopyrazolo[3,4-d]pyrimidin-1-yl)-1-phenyl-ethanol
  • 2-(4-morpholino-1-pyrazolo[3,4-d]pyrimidinyl)-1-phenylethanol
  • 2-(4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)-1-phenyl-ethanol
  • 2-(4-morpholin-4-ylpyrazolo[4,5-e]pyrimidin-1-yl)-1-phenylethanol
  • 2-(4-morpholinopyrazolo[4,5-e]pyrimidin-1-yl)-1-phenyl-ethanol
  • 2-(4-morpholino-1-pyrazolo[4,5-e]pyrimidinyl)-1-phenylethanol
  • 2-(4-morpholin-4-ylpyrazolo[4,5-e]pyrimidin-1-yl)-1-phenyl-ethanol

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
Schistosoma mansoni tyrosine kinase 0.0053 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0053 0 0.5
Onchocerca volvulus 0.0053 0 0.5
Onchocerca volvulus 0.0053 0 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0053 0 0.5
Brugia malayi protein-tyrosine kinase 0.0053 0 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0053 0 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0053 0 0.5
Onchocerca volvulus 0.0053 0 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0053 0 0.5
Brugia malayi SH2 domain containing protein 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0053 0 0.5
Onchocerca volvulus 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0053 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Srms 0.0053 0 0.5
Echinococcus granulosus tyrosine kinase 0.0053 0 0.5
Onchocerca volvulus 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3165 1 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0053 0 0.5
Echinococcus granulosus c src tyrosine kinase 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0053 0 0.5
Schistosoma mansoni tyrosine kinase 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0053 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.3165 1 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0053 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Loa Loa (eye worm) TK protein kinase 0.0053 0 0.5
Brugia malayi SRC-1 0.0053 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0053 0 0.5
Brugia malayi SH2 domain containing protein 0.0053 0 0.5
Echinococcus multilocularis c src tyrosine kinase 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0053 0 0.5
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0761 0.2275 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0053 0 0.5
Brugia malayi hypothetical protein 0.0053 0 0.5
Onchocerca volvulus 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.0053 0 0.5
Schistosoma mansoni tyrosine kinase 0.0053 0 0.5
Loa Loa (eye worm) SRC-1 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0053 0 0.5
Schistosoma mansoni tyrosine kinase 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0053 0 0.5
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3165 1 0.5
Echinococcus granulosus tyrosine protein kinase ABL1 0.0053 0 0.5
Echinococcus granulosus tyrosine kinase 0.0053 0 0.5
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3165 1 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.0053 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0053 0 0.5
Schistosoma mansoni tyrosine kinase 0.0053 0 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0053 0 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.3165 1 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0053 0 0.5
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.3165 1 0.5
Echinococcus granulosus tyrosine protein kinase shark 0.0053 0 0.5
Echinococcus multilocularis tyrosine kinase 0.0053 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0053 0 0.5
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.3165 1 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.0053 0 0.5
Schistosoma mansoni tyrosine kinase 0.0053 0 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0053 0 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0053 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Cytotoxicity against A431cells ChEMBL. 16509573
Activity (functional) 0 Cytotoxicity against 8701-BC cells ChEMBL. 16509573
IC50 (functional) 0 Antiproliferative activity against 8701-BC cells ChEMBL. 16509573
IC50 (functional) 0 Antiproliferative activity against 8701-BC cells at 100 uM ChEMBL. 16509573
IC50 (functional) 0 uM In vitro antiproliferative activity of the compound against 8701-BC human breast cancer cells at a concentration of (0-100 microM ChEMBL. 15027847
IC50 (functional) = 84.2 uM Antiproliferative activity against A431 cells ChEMBL. 16509573
IC50 (functional) = 84.2 uM Antiproliferative activity against A431 cells ChEMBL. 16509573
Ki (binding) Inhibitory activity against Src in cell free assay ChEMBL. 16509573
Ki (binding) 0 Inhibitory activity against Src in cell free assay ChEMBL. 16509573

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

2 literature references were collected for this gene.

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