Compound Detail
CHEMBL544816
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Basic Information
| ChEMBL ID | CHEMBL544816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODWHIOVNICEETI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193415 |
| Active Moiety | CHEMBL1193415 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
4.96
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 26.0 | nM | 7.58 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658441 | 10.1021/jm00018a014 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 1 | 1 |
| 7658441 | 10.1021/jm00018a014 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 3 | 1 |
| 7658441 | 10.1021/jm00018a014 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine