Compound Detail
CHEMBL313434
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Basic Information
| ChEMBL ID | CHEMBL313434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMECSRGVSCMHBF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
0.33
ALogP
9
HBA
4
HBD
164.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| 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 | IC50 | = | 9.8 | nM | 8.01 | Biotinylated fibrinogen binding to alpha IIb beta-3 integrin | - |
| Homo sapiens | IC50 | = | 470.0 | nM | 6.33 | Inhibitory activity against ADP-mediated human platelet aggregation in human pla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00476-3 | Homo sapiens | 1 |
| - | 10.1016/0960-894X(96)00476-3 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine