Compound Detail
CHEMBL220337
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CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL220337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQJWHJWAEOHVCK-ZOQUXTDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.2
MW (Da)
-1.85
ALogP
12
HBA
6
HBD
253.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 14300.0 | nM | 4.84 | Agonist activity at human recombinant P2Y2 receptor expressed in 1321N1 cells as... | 17302398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17302398 | 10.1021/jm060903o | P2Y purinoceptor 2 | 1 |
Data from ChEMBL 36 via Core Engine