Compound Detail
CHEMBL332998
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Basic Information
| ChEMBL ID | CHEMBL332998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMDXWFFIQRLLR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
4.04
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.12 | 4.1 | 75500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 75500.0 | nM | 4.12 | Inhibition of platelet aggregation induced by Collagen (10 uM) | 11606139 |
| Unchecked | IC50 | = | 83700.0 | nM | 4.08 | Inhibition of platelet aggregation induced by AA (100 uM) | 11606139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606139 | 10.1021/jm010001h | Unchecked | 4 |
| 37918036 | 10.1016/j.ejmech.2023.115874 | Neutrophil | 4 |
| 25996239 | 10.1021/jm502014h | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine