Compound Detail
CHEMBL300427
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COc1ccc(C2(Cc3ccncc3)C(=O)N(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1OC1CCCC1
Basic Information
| ChEMBL ID | CHEMBL300427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMXXCHVSWXIDFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.7
MW (Da)
5.98
ALogP
6
HBA
0
HBD
85.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of guinea pig macrophage Phosphodiesterase 4 | 9871649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871649 | 10.1016/s0960-894x(97)10206-2 | Phosphodiesterase 4 | 2 |
Data from ChEMBL 36 via Core Engine