Compound Detail
CHEMBL1801154
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1(NC(=O)c2cn(-c3cccc(-c4ccc(C5CC5C(=O)O)cc4)c3)c3ncccc3c2=O)CC1
Basic Information
| ChEMBL ID | CHEMBL1801154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVYYDLJKIQKWSE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
4.52
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 58.0 | % | Rattus norvegicus |
| T1/2 | 4.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 0.58 | nM | 9.24 | Inhibition of PDE4A | 20933411 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.58 | nM | 9.24 | Inhibition of PDE4B | 20933411 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 0.58 | nM | 9.24 | Inhibition of PDE4D | 20933411 |
| Phosphodiesterase 4 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of PDE4 activity in human whole blood assessed as inhibition of LPS-i... | 20933411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933411 | 10.1016/j.bmcl.2010.09.087 | Rattus norvegicus | 2 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | Phosphodiesterase 4 | 1 |
| 20933411 | 10.1016/j.bmcl.2010.09.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine