Compound Detail
CHEMBL3144305
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CNc1ncnc2c1ncn2[C@H]1C[C@@H]2OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O1
Basic Information
| ChEMBL ID | CHEMBL3144305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOKCRJWEZVNVFV-XLPZGREQSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.2
MW (Da)
1.02
ALogP
15
HBA
5
HBD
260.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 20.0 | nM | 7.7 | Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 rec... | 10229631 |
| P2Y purinoceptor 1 | IC50 | = | 158.0 | nM | 6.8 | In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes. | 10229631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229631 | 10.1021/jm980657j | P2Y purinoceptor 1 | 4 |
Data from ChEMBL 36 via Core Engine