Compound Detail
CHEMBL329365
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Basic Information
| ChEMBL ID | CHEMBL329365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRBJXJVNHLJRAG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
5.19
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Ki 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 340.0 | nM | 6.47 | Inhibition of Rolipram binding to PDE4 | 9873613 |
| Phosphodiesterase 4 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of PDE4 from guinea pig macrophages | 9873613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873613 | 10.1016/s0960-894x(98)00497-1 | Phosphodiesterase 4 | 1 |
| 9873613 | 10.1016/s0960-894x(98)00497-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine