Compound Detail
CHEMBL229518
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Basic Information
| ChEMBL ID | CHEMBL229518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXNMOZBGUPTRTP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
1.20
ALogP
4
HBA
1
HBD
45.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma CHEMBL613652 | IC50 | 4.44 | 4.375 | 36000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of 10.0 ug/mL collagen-induced platelet aggregation in human platelet... | 17500510 |
| Plasma | IC50 | = | 49000.0 | nM | 4.31 | 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