Compound Detail
CHEMBL371973
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Basic Information
| ChEMBL ID | CHEMBL371973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCJPABKKXVDIIS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.41
ALogP
6
HBA
2
HBD
101.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 4.49 | 4.49 | 32466.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Integrin alphav-beta3 receptor by SPRA assay | 16298127 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 32466.0 | nM | 4.49 | Inhibition of Integrin alpha-2b-beta-3 receptor by SPRA assay | 16298127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16298127 | 10.1016/j.bmcl.2005.11.008 | Integrin alpha-V/beta-3 | 1 |
| 16298127 | 10.1016/j.bmcl.2005.11.008 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine