Compound Detail
CHEMBL543666
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Basic Information
| ChEMBL ID | CHEMBL543666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZXYSSSPZGQVFP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192433 |
| Active Moiety | CHEMBL1192433 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
4.11
ALogP
6
HBA
2
HBD
85.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.52 | 5.2867 | 3000.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of collagen-induced platelet aggregation | 7837237 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of arachidonic acid-induced platelet aggregation | 7837237 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor. | 7837237 |
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | In vitro inhibition of thrombin-induced platelet aggregation. | 7837237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837237 | 10.1021/jm00001a008 | Integrin alpha-IIb/beta-3 | 3 |
| 7837237 | 10.1021/jm00001a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine