Compound Detail
CHEMBL4099081
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Basic Information
| ChEMBL ID | CHEMBL4099081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUJUFDNTCAHMDP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.63
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) exp... | 28686445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28686445 | 10.1021/acs.jmedchem.7b00523 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine