Compound Detail
CHEMBL80819
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Basic Information
| ChEMBL ID | CHEMBL80819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVHYTSHIZOYMFB-INIZCTEOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.7
MW (Da)
2.03
ALogP
8
HBA
4
HBD
133.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Kd 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | Kd | 8.96 | 8.96 | 1.1 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | Kd | = | 1.1 | nM | 8.96 | Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cy... | 10395482 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 10.0 | nM | 8.0 | The compound was tested in vivo for the inhibition of aggregation of human gel-f... | 10395482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395482 | 10.1021/jm980722p | Integrin alpha-IIb/beta-3 | 3 |
Data from ChEMBL 36 via Core Engine