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Compound Detail

CHEMBL128681

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C[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2C1CC(O)C(CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128681
Phase Preclinical
Structure Type MOL
InChI Key DSGCCMREQQELEM-SFLNLBOUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
1.51
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5O3
MW 369.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
7562934 10.1021/jm00020a014 Adenosine receptor A1 1
7562934 10.1021/jm00020a014 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine