Compound Detail
CHEMBL52245
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Basic Information
| ChEMBL ID | CHEMBL52245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHUXWHWBOXGHSM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
1.65
ALogP
6
HBA
2
HBD
109.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.11 | 6.11 | 776.2 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 780.0 | nM | 6.11 | Inhibition of Phosphodiesterase 5 from rabbit platelets | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 776.25 | nM | 6.11 | Inhibition of PDE5 | 18656371 |
| Phosphodiesterase 3 | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of Phosphodiesterase 3 from rabbit platelets | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00323-X | Phosphodiesterase 1 | 1 |
| - | 10.1016/0960-894X(96)00323-X | Phosphodiesterase 3 | 1 |
| - | 10.1016/0960-894X(96)00323-X | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 18656371 | 10.1016/j.bmc.2008.07.022 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine