Compound Detail
CHEMBL45934
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Basic Information
| ChEMBL ID | CHEMBL45934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNDAPYQQDHXWER-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.14
ALogP
4
HBA
1
HBD
71.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4A CHEMBL3333 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4A | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory potency against pig aortic PDE IV | 8201604 |
| Unchecked | IC50 | = | 9500.0 | nM | 5.02 | Inhibitory potency against pig aortic PDE III. | 8201604 |
| Phosphodiesterase 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory potency against pig aortic PDE I. | 8201604 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 35000.0 | nM | 4.46 | Inhibitory potency against pig aortic PDE V. | 8201604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine