Compound Detail
CHEMBL58602
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Basic Information
| ChEMBL ID | CHEMBL58602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGJMXATZBNODMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.46
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 | Inhibitory activity against vitronectin receptor (alpha V beta 3) | 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