Compound Detail
CHEMBL8572
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Basic Information
| ChEMBL ID | CHEMBL8572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMVGGEMBEYLCFD-MNDPQUGUSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
1.44
ALogP
5
HBA
3
HBD
121.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.05
Ki 1 meas. best 10.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Ki | 10.33 | 10.33 | 0.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 10.05 | 8.0583 | 0.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | Ki | = | 0.0465 | nM | 10.33 | Affinity for purified activated GPIIb/IIIa fibrinogen receptor by ELISA | 11327582 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 0.09 | nM | 10.05 | Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA | 11327582 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 11.3 | nM | 7.95 | Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor | 11327582 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 16.8 | nM | 7.78 | In vitro inhibition of ADP (2 uM) induced platelet aggregation of human platelet... | 11327582 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 20.8 | nM | 7.68 | In vitro inhibition of ADP (3 uM)induced platelet aggregation of guinea pig plat... | 11327582 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 35.5 | nM | 7.45 | In vitro inhibition of ADP (10 uM) and epinephrine (10 uM) induced platelet aggr... | 11327582 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 36.6 | nM | 7.44 | In vitro inhibition of ADP (5 uM) induced platelet aggregation of mouse platelet... | 11327582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327582 | 10.1016/s0960-894x(01)00123-8 | Integrin alpha-IIb/beta-3 | 9 |
| 11327582 | 10.1016/s0960-894x(01)00123-8 | Integrin alpha-V/beta-3 | 1 |
| 11327582 | 10.1016/s0960-894x(01)00123-8 | Unchecked | 1 |
| 11327582 | 10.1016/s0960-894x(01)00123-8 | Integrin alpha-5/beta-1 | 1 |
Data from ChEMBL 36 via Core Engine