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Compound Detail

CHEMBL608872

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Nc1ncnc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608872
Phase Preclinical
Structure Type MOL
InChI Key OCOLIMYIUOUURJ-HSJDDFSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

639.3
MW (Da)
-3.17
ALogP
18
HBA
9
HBD
338.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H24N5O17P3
MW 639.30
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
9457242 10.1021/jm970433l P2Y purinoceptor 1 4

Data from ChEMBL 36 via Core Engine