Compound Detail
CHEMBL413841
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Cc1cc(=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
Basic Information
| ChEMBL ID | CHEMBL413841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AROARRWARGPJJC-ZOQUXTDFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.2
MW (Da)
-2.19
ALogP
12
HBA
7
HBD
264.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 2 | 4 |
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 6 | 4 |
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 4 | 4 |
Data from ChEMBL 36 via Core Engine