Compound Detail
CHEMBL138511
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COc1ccc(-c2ccc(C(=O)N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)OCO4)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL138511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQVTTZZNSGJGES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
5.68
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 1.71 | nM | 8.77 | Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated | 12540243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540243 | 10.1021/jm0202573 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine