Compound Detail
CHEMBL328528
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL328528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFXICNGRABOTIL-NYJROKQASA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
1.90
ALogP
7
HBA
3
HBD
122.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 10.21 | 9.945 | 0.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 31.0 | % | Canis lupus familiaris |
| T1/2 | 3.85 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 0.061 | nM | 10.21 | Inhibition of thrombin-induced human gel-filtered platelet aggregation | 11551763 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 0.21 | nM | 9.68 | Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa | 11551763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11551763 | 10.1016/s0960-894x(01)00529-7 | Integrin alpha-IIb/beta-3 | 2 |
| 11551763 | 10.1016/s0960-894x(01)00529-7 | ADMET | 2 |
| 11551763 | 10.1016/s0960-894x(01)00529-7 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine