Compound Detail
CHEMBL4756052
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Basic Information
| ChEMBL ID | CHEMBL4756052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEEDBHIHBIWFMR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.41
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant human His-tagged PDE7 expressed in baculovirus infecte... | 32255344 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant PDE7A1 (130 to 482 residues) (unknown origin) expresse... | 36796299 |
| Phosphodiesterase 4 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of human U937 cell derived PDE4 using [3H]cAMP as substrate incubated... | 32255344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Phosphodiesterase 4 | 1 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Unchecked | 1 |
| 36796299 | 10.1016/j.ejmech.2023.115194 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
Data from ChEMBL 36 via Core Engine