Compound Detail
CHEMBL2373948
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CSc1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@]4(COP(=O)(O)OP(=O)(O)O)C[C@@H]34)c2n1
Basic Information
| ChEMBL ID | CHEMBL2373948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJDVSMBTIILRAJ-GCDQPJFUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
483.3
MW (Da)
-0.36
ALogP
12
HBA
6
HBD
223.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 0.4 | nM | 9.4 | Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human ... | 11985476 |
| P2Y purinoceptor 1 | EC50 | = | 0.88 | nM | 9.06 | Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte m... | 11985476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985476 | 10.1021/jm010538v | P2Y purinoceptor 1 | 2 |
| 11985476 | 10.1021/jm010538v | P2Y purinoceptor 2 | 1 |
| 11985476 | 10.1021/jm010538v | P2Y purinoceptor 4 | 1 |
| 11985476 | 10.1021/jm010538v | P2Y purinoceptor 11 | 1 |
Data from ChEMBL 36 via Core Engine