Compound Detail
CHEMBL327581
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Basic Information
| ChEMBL ID | CHEMBL327581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKIWLLJKGUXJDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
5.00
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 400.0 | nM | 6.4 | Inhibitory potency against guinea pig ventricular phosphodiesterase 4 | 11128646 |
| Phosphodiesterase 4 | IC50 | = | 900.0 | nM | 6.05 | Displacement of [3H]rolipram from high affinity binding site (HARBS) in rat brai... | 11128646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 4 | 2 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine