Compound Detail
CHEMBL2093075
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CSc1nc(N)c2ncn(C3O[C@H](CO[P@](O)(=S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL2093075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJQPBUVDCRWFKD-UOLBPOMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
569.3
MW (Da)
-0.79
ALogP
15
HBA
7
HBD
262.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL2497 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 1.0 | nM | 9.0 | Concentration required for calcium mobilization at rat purinergic 2Y1 receptor e... | 15317453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15317453 | 10.1021/jm049771u | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine