Compound Detail
CHEMBL4575577
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Basic Information
| ChEMBL ID | CHEMBL4575577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSPIDHXLVXDISW-VIFPVBQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.2
MW (Da)
0.82
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-5/beta-1 CHEMBL2095226 | IC50 | 7.38 | 7.305 | 41.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-5/beta-1 | IC50 | = | 41.5 | nM | 7.38 | Antagonist activity at alpha5beta1 integrin receptor in human K562 cells assesse... | 31670514 |
| Integrin alpha-5/beta-1 | IC50 | = | 59.3 | nM | 7.23 | Binding affinity to alpha5beta1 integrin receptor (unknown origin) incubated fro... | 31670514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31670514 | 10.1021/acs.jmedchem.9b01000 | Integrin alpha-5/beta-1 | 3 |
| 31670514 | 10.1021/acs.jmedchem.9b01000 | Integrin alpha-V/beta-3 | 2 |
| 31670514 | 10.1021/acs.jmedchem.9b01000 | Integrin alpha-4/beta-1 | 2 |
Data from ChEMBL 36 via Core Engine