Compound Detail
CHEMBL39285
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CCc1cc(-c2ccc(OCC(=O)O)cc2C(C)C)ccc1-c1cccc(Cc2ccc3ccccc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL39285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NACHXCODXOLYLO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
8.91
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of calmodulin-dependent PDE(3',5'-phosphodiesterase) | 11931608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931608 | 10.1021/jm010468s | Phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine