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Compound Detail

CHEMBL436959

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O=c1cc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436959
Phase Preclinical
Structure Type MOL
InChI Key MTOPXBLKWYGUFG-YXZULKJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.1
MW (Da)
-2.80
ALogP
13
HBA
8
HBD
284.6
PSA (Ų)
0.17
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N2O16P3
MW 500.14
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.15

Literature References

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

Data from ChEMBL 36 via Core Engine