Compound Detail
CHEMBL416669
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Basic Information
| ChEMBL ID | CHEMBL416669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYILTXKXDOUWET-ZYZRXSCRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
2.34
ALogP
6
HBA
3
HBD
124.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
| Mus musculus CHEMBL375 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 1.2 | nM | 8.92 | Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 in... | 11738566 |
| Integrin alpha-V/beta-3 | IC50 | = | 1.2 | nM | 8.92 | Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay | 12729670 |
| Mus musculus | IC50 | = | 480.0 | nM | 6.32 | The ability of compound to inhibit the transformation of osteoblast-like cells o... | 11738566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-V/beta-3 | 1 |
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Mus musculus | 1 |
| 11738566 | 10.1016/s0960-894x(01)00687-4 | Integrin alpha-IIb/beta-3 | 1 |
| 12729670 | 10.1016/s0960-894x(03)00254-3 | Integrin alpha-V/beta-3 | 1 |
| 12729670 | 10.1016/s0960-894x(03)00254-3 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine