Compound Detail
CHEMBL163905
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Basic Information
| ChEMBL ID | CHEMBL163905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBTKLEFBLWJDCP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.71
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 8.4 | 8.4 | 4.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 4.0 | nM | 8.4 | Inhibitory activity against PDE5 from human corpus cavernosum | 12639576 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 4.0 | nM | 8.4 | Inhibition of human corpus cavernosum PDE5 | 29505934 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 4.0 | nM | 8.4 | Inhibition of PDE5 (unknown origin) | 30245400 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 4.0 | nM | 8.4 | Binding affinity to PDE5 (unknown origin) assessed as inhibition constant | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639576 | 10.1016/s0960-894x(02)01036-3 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 29505934 | 10.1016/j.ejmech.2018.02.039 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 30245400 | 10.1016/j.ejmech.2018.09.028 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine