Compound Detail
CHEMBL222122
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 | CHEMBL222122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEVBBIBQCXPDKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.7
MW (Da)
1.31
ALogP
2
HBA
5
HBD
97.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 4.01 | 4.01 | 97300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 97300.0 | nM | 4.01 | Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to ... | 16982193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16982193 | 10.1016/j.bmcl.2006.08.061 | Integrin alpha-V/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine