Compound Detail
CHEMBL133051
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Basic Information
| ChEMBL ID | CHEMBL133051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCWNDBGIAHMESJ-OECJZSEWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.2
MW (Da)
-0.05
ALogP
9
HBA
5
HBD
203.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 155.0 | nM | 6.81 | Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor ... | 12213051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213051 | 10.1021/jm020046y | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine