Compound Detail
CHEMBL3233263
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Basic Information
| ChEMBL ID | CHEMBL3233263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJVQTPGCEVENKR-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
3.93
ALogP
6
HBA
3
HBD
109.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Integrin alpha-5/beta-1 CHEMBL2095226 | IC50 | 7.19 | 7.19 | 64.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1... | 24654918 |
| Integrin alpha-5/beta-1 | IC50 | = | 64.2 | nM | 7.19 | Inhibition of fibronectin binding to human alpha5beta1 integrin receptor after 1... | 24654918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24654918 | 10.1021/jm500092w | Integrin alpha-V/beta-3 | 1 |
| 24654918 | 10.1021/jm500092w | Integrin alpha-5/beta-1 | 1 |
| 24654918 | 10.1021/jm500092w | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine