Compound Detail
CHEMBL2402517
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Basic Information
| ChEMBL ID | CHEMBL2402517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAQWULABCGLUNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
2.43
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 6.27 | 6.27 | 539.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 276.0 | mL.min-1.kg-1 | 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 | = | 19.0 | nM | 7.72 | Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 ce... | 23806553 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 539.0 | nM | 6.27 | Inhibition of human full length PDE7A1 expressed in baculovirus infected sf21 ce... | 23806553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23806553 | 10.1016/j.bmcl.2013.05.099 | Liver microsomes | 1 |
| 23806553 | 10.1016/j.bmcl.2013.05.099 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 23806553 | 10.1016/j.bmcl.2013.05.099 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine