Compound Detail
CHEMBL562729
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL562729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFZGKSILZCJTOF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.9
MW (Da)
5.35
ALogP
7
HBA
0
HBD
61.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.41
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Integrin alpha-4 CHEMBL278 | EC50 | 5.41 | 5.41 | 3892.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 37.0 | nM | 7.43 | Inhibition of human PDE4A by IMAP fluorescence polarization technology | 19464886 |
| Integrin alpha-4 | EC50 | = | 3892.0 | nM | 5.41 | PUBCHEM_BIOASSAY: SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligan... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19464886 | 10.1016/j.bmcl.2009.01.057 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine