Compound Detail
CHEMBL313045
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Basic Information
| ChEMBL ID | CHEMBL313045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJKNTBIICLHWFT-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
0.65
ALogP
7
HBA
5
HBD
138.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of binding to human alphaV-beta3 integrin | 15109653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109653 | 10.1016/s0960-894x(04)00293-8 | Integrin alpha-V/beta-3 | 1 |
| 15109653 | 10.1016/s0960-894x(04)00293-8 | Integrin alpha-IIb/beta-3 | 1 |
| 15109653 | 10.1016/s0960-894x(04)00293-8 | Integrin alpha-V/beta-3 and alpha-IIb/beta 3 | 1 |
| 15109653 | 10.1016/s0960-894x(04)00293-8 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine