Compound Detail
CHEMBL5175706
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CC(C)N1CCC(Nc2nc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc3ccccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL5175706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPGVHNBYTQEAID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.7
MW (Da)
3.59
ALogP
8
HBA
2
HBD
93.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human PDE5 using [3H]cGMP as substrate incubated for 10 mins by li... | 36450167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36450167 | 10.1016/j.bmc.2022.117092 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 36450167 | 10.1016/j.bmc.2022.117092 | Unchecked | 2 |
| 36450167 | 10.1016/j.bmc.2022.117092 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine