Compound Detail
CHEMBL336291
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COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)CCC4)nc2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL336291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOORTNLCAVPHQO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
6.01
ALogP
7
HBA
1
HBD
80.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 8.94 | 8.94 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 1.14 | nM | 8.94 | Phosphodiesterase 5 activity of human corpus cavernosum | 12213052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213052 | 10.1021/jm025545d | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12213052 | 10.1021/jm025545d | Phosphodiesterase, PDE1/PDE5 | 1 |
| 12213052 | 10.1021/jm025545d | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | 1 |
| 12213052 | 10.1021/jm025545d | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 12213052 | 10.1021/jm025545d | Phosphodiesterase 4 and 5 (PDE4 and PDE5) | 1 |
| 12213052 | 10.1021/jm025545d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine