Compound Detail
CHEMBL385488
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O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL385488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTNPGBJHKRUBLX-DTZQCDIJSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
602.3
MW (Da)
-1.14
ALogP
14
HBA
6
HBD
270.6
PSA (Ų)
0.13
QED
3
Ro5 Violations
11
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 6 | 3 |
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 2 | 3 |
| 17125260 | 10.1021/jm060848j | P2Y purinoceptor 4 | 3 |
Data from ChEMBL 36 via Core Engine