Compound Detail
CHEMBL2092793
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CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL2092793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVZNYNIFYBLKFQ-SMUXNDDWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
639.5
MW (Da)
1.16
ALogP
15
HBA
7
HBD
262.1
PSA (Ų)
0.07
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 7.77 | 7.725 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 17.0 | nM | 7.77 | Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes | 10479295 |
| P2Y purinoceptor 1 | EC50 | = | 21.0 | nM | 7.68 | Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes | 10479295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479295 | 10.1021/jm990158y | P2Y purinoceptor 1 | 2 |
Data from ChEMBL 36 via Core Engine