Compound Detail
CHEMBL1232082
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Basic Information
| ChEMBL ID | CHEMBL1232082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLHRMVRLIOIWTO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
1.90
ALogP
8
HBA
0
HBD
112.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | EC50 | = | 17.0 | nM | 7.77 | Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 ... | 21456625 |
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Inhibition of recombinant human PDE4D7 catalytic domain expressed in baculovirus... | 26908025 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 22.0 | nM | 7.66 | Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemic... | 21456625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21456625 | 10.1021/jm200070e | 3',5'-cyclic-AMP phosphodiesterase 4A | 2 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine