Compound Detail
CHEMBL47113
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Basic Information
| ChEMBL ID | CHEMBL47113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQZMYDIWLZMXHX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.55
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.75 | 7.465 | 18.0 | 2 |
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.15 | 7.15 | 70.8 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of solubilized eosinophil PDE IV | 8201604 |
| Phosphodiesterase 4 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of guinea pig PDE IV | 8201604 |
| Phosphodiesterase 4A | IC50 | = | 70.0 | nM | 7.16 | Inhibitory potency against pig aortic PDE IV | 8201604 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 70.79 | nM | 7.15 | Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liq... | 19049349 |
| Cavia porcellus | IC50 | = | 580.0 | nM | 6.24 | Inhibition of superoxide O2-generation from guinea pig peritoneal eosinophils | 8201604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8201604 | 10.1021/jm00037a021 | Cavia porcellus | 5 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4 | 2 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 1 | 1 |
| 8201604 | 10.1021/jm00037a021 | Unchecked | 1 |
| 8201604 | 10.1021/jm00037a021 | Phosphodiesterase 4A | 1 |
| 8201604 | 10.1021/jm00037a021 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 19049349 | 10.1021/jm701635j | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine