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Compound Detail

CHEMBL215940

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Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215940
Phase Preclinical
Structure Type MOL
InChI Key KZSHODFDDQCIMT-ZOQUXTDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)
-2.72
ALogP
9
HBA
4
HBD
160.4
PSA (Ų)
0.43
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 C10H15N2O9P
MW 338.21
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
17125260 10.1021/jm060848j P2Y purinoceptor 6 3
17125260 10.1021/jm060848j P2Y purinoceptor 2 3
17125260 10.1021/jm060848j P2Y purinoceptor 4 2

Data from ChEMBL 36 via Core Engine