Compound Detail
CHEMBL300097
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Basic Information
| ChEMBL ID | CHEMBL300097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBPVQXLZQALJTK-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
0.32
ALogP
6
HBA
3
HBD
116.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Kd 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 7.34 | 6.56 | 46.0 | 3 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | Kd | = | 46.0 | nM | 7.34 | Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integri... | 10987423 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of aggregation of human gel-filtered platelets measured by light tran... | 10987423 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of fibrinogen binding to glycoprotein alpha IIb beta-3 integrin of ac... | - |
| Homo sapiens | IC50 | = | 470.0 | nM | 6.33 | Inhibition of aggregation of human gel-filtered platelets was measured by light ... | 9191954 |
| Integrin alpha-IIb/beta-3 | Kd | = | 680.0 | nM | 6.17 | Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry u... | 10987423 |
| Integrin alpha-IIb/beta-3 | Kd | = | 680.0 | nM | 6.17 | Displacement of L-736,622 from purified resting Fibrinogen Receptor | 9191954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987423 | 10.1016/s0960-894x(00)00385-1 | Integrin alpha-IIb/beta-3 | 4 |
| 9191954 | 10.1021/jm9608117 | Integrin alpha-IIb/beta-3 | 2 |
| - | 10.1016/0960-894X(95)00057-Z | Integrin alpha-IIb/beta-3 | 1 |
| 9191954 | 10.1021/jm9608117 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine