Compound Detail
CHEMBL84911
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Basic Information
| ChEMBL ID | CHEMBL84911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INPJXWNSGITHFI-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
1.08
ALogP
8
HBA
4
HBD
135.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 0.59 | nM | 9.23 | Inhibitory activity was determined against human vitronectin receptor (alpha V b... | 15109653 |
| Homo sapiens | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human vascular smooth muscle proliferation was determined | 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