Compound Detail
CHEMBL1957449
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N.N.O=c1ccn([C@@H]2O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1957449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOPUNKMLAMAWSX-CWHKRXMNSA-N |
| Parent Compound | CHEMBL1963181 |
| Active Moiety | CHEMBL1963181 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
-2.73
ALogP
8
HBA
5
HBD
171.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386981 | 10.1016/j.bmc.2012.02.012 | P2Y purinoceptor 2 | 2 |
| 22386981 | 10.1016/j.bmc.2012.02.012 | P2Y purinoceptor 6 | 1 |
| 22386981 | 10.1016/j.bmc.2012.02.012 | P2Y purinoceptor 4 | 1 |
Data from ChEMBL 36 via Core Engine