Compound Detail
CHEMBL4586928
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Basic Information
| ChEMBL ID | CHEMBL4586928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZLFZIQTWBACFC-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
0.72
ALogP
4
HBA
3
HBD
115.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.01
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-5/beta-1 CHEMBL2095226 | EC50 | 8.01 | 8.0033 | 9.7 | 3 |
| Integrin alpha-5/beta-1 CHEMBL2095226 | IC50 | 7.31 | 7.295 | 49.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-5/beta-1 | EC50 | = | 9.7 | nM | 8.01 | Agonist activity at alpha5beta1 integrin receptor in human K562 cells assessed a... | 36976921 |
| Integrin alpha-5/beta-1 | EC50 | = | 9.9 | nM | 8.0 | Agonist activity at alpha5beta1 integrin receptor in human K562 cells assessed a... | 31670514 |
| Integrin alpha-5/beta-1 | EC50 | = | 9.9 | nM | 8.0 | Agonist activity at alpha5beta1 in human K562 cells assessed as increase in cell... | 27726366 |
| Integrin alpha-5/beta-1 | IC50 | = | 49.0 | nM | 7.31 | Binding affinity to alpha5beta1 integrin receptor (unknown origin) preincubated ... | 36976921 |
| Integrin alpha-5/beta-1 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of fibronectin binding to alpha5beta1 isolated from human K562 cells ... | 27726366 |
Literature References
Data from ChEMBL 36 via Core Engine