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Compound Detail

CHEMBL604854

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Nc1ncnc2c1nc(NC1CCCC1)n2C1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604854
Phase Preclinical
Structure Type MOL
InChI Key UJXPOYSRIYLOOZ-OYBGHCQBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
-0.63
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N6O4
MW 350.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
8691477 10.1021/jm950267m Adenosine receptor A1 1
8691477 10.1021/jm950267m Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine