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Compound Detail

CHEMBL217391

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CCCc1cc(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217391
Phase Preclinical
Structure Type MOL
InChI Key XPXCQFUBYLUZRO-QCNRFFRDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
-1.78
ALogP
8
HBA
5
HBD
171.3
PSA (Ų)
0.36
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 C12H19N2O9P
MW 366.26
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
17125260 10.1021/jm060848j P2Y purinoceptor 6 2
17125260 10.1021/jm060848j P2Y purinoceptor 4 2
17125260 10.1021/jm060848j P2Y purinoceptor 2 2

Data from ChEMBL 36 via Core Engine