Compound Detail
CHEMBL420599
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CCCn1c(=O)[nH]c(=O)c2[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc21
Basic Information
| ChEMBL ID | CHEMBL420599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQAAOKWECSCQJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
0.82
ALogP
8
HBA
2
HBD
133.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 1360.0 | nM | 5.87 | Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) | 12182866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182866 | 10.1016/s0960-894x(02)00480-8 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12182866 | 10.1016/s0960-894x(02)00480-8 | Phosphodiesterase 6 | 1 |
| 12182866 | 10.1016/s0960-894x(02)00480-8 | Phosphodiesterase 1 | 1 |
| 12182866 | 10.1016/s0960-894x(02)00480-8 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine