Compound Detail
CHEMBL3143671
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CNc1nc(C)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1
Basic Information
| ChEMBL ID | CHEMBL3143671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFVYXNYRQBWSTG-DJLDLDEBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.3
MW (Da)
0.05
ALogP
10
HBA
5
HBD
198.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | Kd | 7.11 | 7.11 | 77.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | Kd | = | 77.62 | nM | 7.11 | pA2 value was evaluated against P2Y purinoceptor 1 | 11831909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831909 | 10.1021/jm0104062 | P2Y purinoceptor 1 | 1 |
| 11831909 | 10.1021/jm0104062 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine