Compound Detail
CHEMBL488133
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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL488133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKJYHYKRGKKASI-XVFCMESISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.2
MW (Da)
-1.91
ALogP
9
HBA
6
HBD
208.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | EC50 | = | 63.0 | nM | 7.2 | Agonist activity at human P2Y14 receptor expressed in HEK293 cells coexpressing ... | 19902968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 6 | 1 |
| 19902968 | 10.1021/jm901432g | P2Y purinoceptor 6 | 1 |
| 19902968 | 10.1021/jm901432g | P2Y purinoceptor 14 | 1 |
| 19902968 | 10.1021/jm901432g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine