Compound Detail
CHEMBL86158
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COc1ccc(C2=NN(C3C4CC5CC(C4)CC3C5)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL86158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSNUCLKQPKBQNG-UZZXDOQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.66
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 125.89 | nM | 6.9 | Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of hu... | 12036361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036361 | 10.1021/jm0110338 | Phosphodiesterase 4 | 1 |
| 12036361 | 10.1021/jm0110338 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine