Compound Detail
CHEMBL455187
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CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@H](C)c3ccccn3)[nH]c(=O)c2nn1C
Basic Information
| ChEMBL ID | CHEMBL455187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCMDGPPBCUEITO-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
2.14
ALogP
10
HBA
1
HBD
139.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL5151 | IC50 | 5.36 | 5.36 | 4323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human corpus cavernosum PDE5 by scintillation proximity assay | 18951784 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 4323.0 | nM | 5.36 | Inhibition of canine retina PDE6 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 |
| 18951784 | 10.1016/j.bmcl.2008.10.037 | Unchecked | 1 |
| 18951784 | 10.1016/j.bmcl.2008.10.037 | Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine