Compound Detail
CHEMBL58152
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Basic Information
| ChEMBL ID | CHEMBL58152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVVIYCWJVVNTPI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
-0.31
ALogP
5
HBA
3
HBD
102.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Kd 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 8.01 | 8.01 | 9.7 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | Kd | = | 9.7 | nM | 8.01 | Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integri... | 10987423 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of aggregation of human gel-filtered platelets measured by light tran... | 10987423 |
| Homo sapiens | IC50 | = | 140.0 | nM | 6.85 | In vitro inhibition of human gel-filtered platelets | 8917647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987423 | 10.1016/s0960-894x(00)00385-1 | Integrin alpha-IIb/beta-3 | 3 |
| 8917647 | 10.1021/jm9604787 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine