Compound Detail
CHEMBL4210889
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Basic Information
| ChEMBL ID | CHEMBL4210889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPIHPADNHDARBD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
5.30
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.77 | 7.77 | 17.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human PDE5A1 catalytic domain (535 to 860 residues) expressed in E... | 30148362 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of PDE5 (unknown origin) | 30245400 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant human PDE5A1 catalytic domain (535 to 860 residues) ex... | 26908025 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human PDE5A1 catalytic domain expressed in Escherichia coli using ... | 33412421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30148362 | 10.1021/acs.jmedchem.8b01209 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine