Compound Detail
CHEMBL228613
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Basic Information
| ChEMBL ID | CHEMBL228613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUNHKDDAAIZZNP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.18
ALogP
6
HBA
1
HBD
67.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613652 | IC50 | 5.18 | 4.8567 | 6600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of 5.0 ug/mL collagen-induced platelet aggregation in human platelet ... | 17500510 |
| Plasma | IC50 | = | 18900.0 | nM | 4.72 | Inhibition of A23187-induced platelet aggregation in human platelet rich plasma | 17500510 |
| Plasma | IC50 | = | 21300.0 | nM | 4.67 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 17500510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17500510 | 10.1021/jm0611511 | Plasma | 3 |
Data from ChEMBL 36 via Core Engine