Compound Detail
CHEMBL464400
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL464400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICQZVEJBMQHJOC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
3.12
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Integrin alpha-V CHEMBL3660 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 7.0 | nM | 8.15 | Binding affinity to human integrin alphavbeta3 receptor by TRF assay | 19081719 |
| Integrin alpha-V | IC50 | = | 310.0 | nM | 6.51 | Binding affinity to human integrin alphavbeta5 receptor by TRF assay | 19081719 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 6300.0 | nM | 5.2 | Binding affinity to human integrin alpha2beta3 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