Compound Detail
CHEMBL258325
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O=C(O)Cc1cc(=O)n(CC(=O)NCC2CCC(Nc3nc4ccccc4[nH]3)CC2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL258325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBMWODJABVRBFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.29
ALogP
6
HBA
4
HBD
129.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 10.0 | nM | 8.0 | Displacement of vitronectin from integrin alphavbeta3 receptor | 18068982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18068982 | 10.1016/j.bmcl.2007.11.089 | Integrin alpha-V/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine