Compound Detail
CHEMBL104600
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Basic Information
| ChEMBL ID | CHEMBL104600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVRLIRWXYXQYQU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.6
MW (Da)
0.28
ALogP
9
HBA
5
HBD
189.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | IC50 | 5.34 | 5.34 | 4560.0 | 1 |
| Rattus norvegicus CHEMBL376 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | IC50 | = | 4560.0 | nM | 5.34 | Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes | 11543678 |
| Rattus norvegicus | Ki | = | 5500.0 | nM | 5.26 | Inhibition of ADP-induced activation of rat platelets using aggregometry | 12477353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543678 | 10.1021/jm010082h | P2Y purinoceptor 1 | 2 |
| 12477353 | 10.1021/jm020173u | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine