Compound Detail
CHEMBL2172371
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Basic Information
| ChEMBL ID | CHEMBL2172371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQWNWCKWMIKDMT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.32
ALogP
5
HBA
1
HBD
66.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.23 | 6.23 | 587.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 5.88 | 5.88 | 1333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by sc... | 22889281 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 587.0 | nM | 6.23 | Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by sc... | 22889281 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1333.0 | nM | 5.88 | Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by sc... | 22889281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22889281 | 10.1021/jm300459a | ADMET | 1 |
| 22889281 | 10.1021/jm300459a | No relevant target | 1 |
| 22889281 | 10.1021/jm300459a | Phosphodiesterase 4 | 1 |
| 22889281 | 10.1021/jm300459a | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 22889281 | 10.1021/jm300459a | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 22889281 | 10.1021/jm300459a | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine