Compound Detail
CHEMBL455412
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CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@@H](C)COC)[nH]c(=O)c2nn1C
Basic Information
| ChEMBL ID | CHEMBL455412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKISNFXGTYNPOO-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
1.02
ALogP
10
HBA
1
HBD
135.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 77.0 | nM | 7.11 | Inhibition of human corpus cavernosum PDE5 by scintillation proximity assay | 18951784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951784 | 10.1016/j.bmcl.2008.10.037 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine