Compound Detail
CHEMBL228617
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Basic Information
| ChEMBL ID | CHEMBL228617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUIUXONRESFVJM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.21
ALogP
6
HBA
1
HBD
54.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613652 | IC50 | 6.36 | 5.96 | 440.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 440.0 | nM | 6.36 | Inhibition of 5.0 ug/mL collagen-induced platelet aggregation in human platelet ... | 17500510 |
| Plasma | IC50 | = | 900.0 | nM | 6.05 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 17500510 |
| Plasma | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of A23187-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