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Compound Detail

CHEMBL608217

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OC[C@H]1OC(n2cnc3c(Nc4cccc(B(O)O)c4)ncnc32)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL608217
Phase Preclinical
Structure Type MOL
InChI Key RZZBKEJIVKIRHK-AARXTDBFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

387.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BN5O6
MW 387.16

Activity Summary

IC50 2 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine receptor A1
CHEMBL2114
IC50 7.38 7.38 42.1 1
Adenosine A2 receptor
CHEMBL2094117
IC50 5.03 5.03 9300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3572985 10.1021/jm00388a039 Adenosine receptor A1 1
3572985 10.1021/jm00388a039 Adenosine A2 receptor 1
3572985 10.1021/jm00388a039 Unchecked 1

Data from ChEMBL 36 via Core Engine