Compound Detail
CHEMBL104784
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Basic Information
| ChEMBL ID | CHEMBL104784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMCUIIHBWNOHIM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.7
MW (Da)
0.36
ALogP
9
HBA
5
HBD
189.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Ki 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| P2Y purinoceptor 1 CHEMBL4315 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 300.0 | nM | 6.52 | Inhibition of ADP-induced activation of rat platelets using aggregometry | 12477353 |
| P2Y purinoceptor 1 | IC50 | = | 480.0 | nM | 6.32 | Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes | 11543678 |
| P2Y purinoceptor 1 | IC50 | = | 840.0 | nM | 6.08 | Antagonist activity at P2Y1 receptor (unknown origin) | 34902735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543678 | 10.1021/jm010082h | P2Y purinoceptor 1 | 2 |
| 12477353 | 10.1021/jm020173u | Rattus norvegicus | 1 |
| 34902735 | 10.1016/j.ejmech.2021.114035 | P2Y purinoceptor 1 | 1 |
Data from ChEMBL 36 via Core Engine