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Compound Detail

CHEMBL319949

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Nc1nc(-c2cnn(CC(=O)O)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319949
Phase Preclinical
Structure Type MOL
InChI Key ULAYZWXYKFTLCQ-YPKZDWGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
-2.03
ALogP
12
HBA
5
HBD
194.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N7O6
MW 391.34
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
12270178 10.1016/s0960-894x(02)00609-1 Adenosine receptor A2a 2

Data from ChEMBL 36 via Core Engine