Compound Detail
CHEMBL58847
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Basic Information
| ChEMBL ID | CHEMBL58847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMXSNMYAHVBHCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.13
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against vitronectin receptor (alpha V beta 3) | 11384239 |
| Integrin alpha-IIb/beta-3 | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity against alpha IIb beta 3 integrin | 11384239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384239 | 10.1021/jm0004953 | No relevant target | 1 |
| 11384239 | 10.1021/jm0004953 | Integrin alpha-V/beta-3 | 1 |
| 11384239 | 10.1021/jm0004953 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine