Compound Detail
CHEMBL60985
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Basic Information
| ChEMBL ID | CHEMBL60985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCQPFCCZWSBRTL-WQRHYEAKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.76
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2111373 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of [3H]rolipram binding to Phosphodiesterase 4 (PDE IV) | - |
| Phosphodiesterase 4 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of Phosphodiesterase 4 | - |
| Phosphodiesterase 3 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Phosphodiesterase 3 (PDE III) at 100 uM | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00333-O | Phosphodiesterase 4 | 2 |
| - | 10.1016/0960-894X(95)00333-O | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine