Compound Detail
CHEMBL3327323
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Basic Information
| ChEMBL ID | CHEMBL3327323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXCZVUGSWTZEKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
504.3
MW (Da)
4.31
ALogP
7
HBA
2
HBD
98.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.08333 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concen... | 25149511 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 6.6 | nM | 8.18 | Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concen... | 25149511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25149511 | 10.1016/j.bmcl.2014.07.016 | ADMET | 2 |
| 25149511 | 10.1016/j.bmcl.2014.07.016 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25149511 | 10.1016/j.bmcl.2014.07.016 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 25149511 | 10.1016/j.bmcl.2014.07.016 | No relevant target | 1 |
| 25149511 | 10.1016/j.bmcl.2014.07.016 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine