Compound Detail
CHEMBL375456
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Basic Information
| ChEMBL ID | CHEMBL375456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEBGAKBOVCHODI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
5.63
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Integrin alpha-V/beta-5 CHEMBL2096675 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 14.0 | nM | 7.85 | Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay | 17184884 |
| Integrin alpha-V/beta-5 | IC50 | = | 15.0 | nM | 7.82 | Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay | 17184884 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Binding affinity to Integrin alpha-5-beta-5 receptor by ELISA assay | 17184884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17184884 | 10.1016/j.ejmech.2006.10.015 | Unchecked | 2 |
| 17184884 | 10.1016/j.ejmech.2006.10.015 | Integrin alpha-V/beta-3 | 1 |
| 17184884 | 10.1016/j.ejmech.2006.10.015 | Integrin alpha-V/beta-5 | 1 |
Data from ChEMBL 36 via Core Engine