Compound Detail
CHEMBL3315255
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Basic Information
| ChEMBL ID | CHEMBL3315255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYCUHTHGIQZFPY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.61
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.14 | 6.14 | 727.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.84 | 5.84 | 1460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 727.0 | nM | 6.14 | Inhibition of human PDE4D | 24998378 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1460.0 | nM | 5.84 | Inhibition of human PDE4B | 24998378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24998378 | 10.1016/j.bmcl.2014.06.002 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 24998378 | 10.1016/j.bmcl.2014.06.002 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 24998378 | 10.1016/j.bmcl.2014.06.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine