Compound Detail
CHEMBL4440789
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Basic Information
| ChEMBL ID | CHEMBL4440789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWVOWMWGKQZVSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
2.10
ALogP
6
HBA
3
HBD
138.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.69 | nM | 8.77 | Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infect... | 31021628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31021628 | 10.1021/acs.jmedchem.9b00123 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 31021628 | 10.1021/acs.jmedchem.9b00123 | Unchecked | 1 |
| 31021628 | 10.1021/acs.jmedchem.9b00123 | ADMET | 1 |
| 31021628 | 10.1021/acs.jmedchem.9b00123 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine