Compound Detail
CHEMBL1928257
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CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1928257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIBCDDKWFDEBEP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
2.91
ALogP
9
HBA
1
HBD
126.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 8.96 | 8.96 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human corpus cavernosum PDE5 by scintillation proximity assay | 18951784 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by ... | 22100260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951784 | 10.1016/j.bmcl.2008.10.037 | Caco-2 | 2 |
| 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 |
| 22100260 | 10.1016/j.bmc.2011.10.022 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 22100260 | 10.1016/j.bmc.2011.10.022 | Unchecked | 1 |
| 22100260 | 10.1016/j.bmc.2011.10.022 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine