Compound Detail
CHEMBL326492
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Basic Information
| ChEMBL ID | CHEMBL326492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXSDSRKJCWOYNE-SFHVURJKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
0.26
ALogP
6
HBA
4
HBD
127.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.8 | 7.78 | 16.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assay | 14640540 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of platelet aggregation | 10999999 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activ... | 10206551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999999 | 10.1021/jm000022w | Integrin alpha-IIb/beta-3 | 1 |
| 10206551 | 10.1016/s0960-894x(99)00104-3 | Integrin alpha-IIb/beta-3 | 1 |
| 14640540 | 10.1021/jm030146j | Integrin alpha-IIb/beta-3 | 1 |
| 14640540 | 10.1021/jm030146j | Integrin alpha-V/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine