Compound Detail
CHEMBL464399
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Basic Information
| ChEMBL ID | CHEMBL464399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VREIRRHIFCOWDQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.42
ALogP
6
HBA
2
HBD
110.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Integrin alpha-V CHEMBL3660 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 39.0 | nM | 7.41 | Binding affinity to human integrin alphavbeta3 receptor by TRF assay | 19081719 |
| Integrin alpha-V | IC50 | = | 600.0 | nM | 6.22 | Binding affinity to human integrin alphavbeta5 receptor by TRF assay | 19081719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081719 | 10.1016/j.bmcl.2008.11.074 | Integrin alpha-V/beta-3 | 1 |
| 19081719 | 10.1016/j.bmcl.2008.11.074 | Integrin alpha-V | 1 |
| 19081719 | 10.1016/j.bmcl.2008.11.074 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine