Compound Detail
CHEMBL347921
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Basic Information
| ChEMBL ID | CHEMBL347921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NASABYJQIYJDID-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
3.32
ALogP
9
HBA
1
HBD
108.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 3600.0 | nM | 5.44 | Inhibition of ADP-induced activation of rat platelets using aggregometry | 12477353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477353 | 10.1021/jm020173u | Rattus norvegicus | 1 |
| 33307675 | 10.1021/acs.jmedchem.0c01524 | P2Y purinoceptor 12 | 1 |
Data from ChEMBL 36 via Core Engine