Compound Detail
CHEMBL432028
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Basic Information
| ChEMBL ID | CHEMBL432028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUZJPSRVAZOKSZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.2
MW (Da)
0.09
ALogP
9
HBA
5
HBD
189.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL4315 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | IC50 | = | 480.0 | nM | 6.32 | Antagonist activity at P2Y1 receptor (unknown origin) | 34902735 |
| P2Y purinoceptor 1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes | 11543678 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Antagonism of PLC stimulation elicited by 10(nM) 2-Me SADP in turkey RBC | 10691699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543678 | 10.1021/jm010082h | P2Y purinoceptor 1 | 2 |
| 10691699 | 10.1021/jm9905211 | Unchecked | 2 |
| 10691699 | 10.1021/jm9905211 | P2Y purinoceptor 1 | 1 |
| 34902735 | 10.1016/j.ejmech.2021.114035 | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine