Compound Detail
CHEMBL434797
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CC(C)N1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O
Basic Information
| ChEMBL ID | CHEMBL434797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIVDXKUVGNOBJF-WZONZLPQSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
2.99
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.82
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 8.22 | 8.16 | 6.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.82 | 6.56 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibitory activity against bovine phosphodiesterase 5 | 14521415 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibitory activity against bovine phosphodiesterase 5 | 14521415 |
| Rattus norvegicus | EC50 | = | 150.0 | nM | 6.82 | Effective concentration against rat aortic smooth muscle cell | 14521415 |
| Rattus norvegicus | EC50 | = | 500.0 | nM | 6.3 | Effective concentration against rat aortic smooth muscle cell | 14521415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521415 | 10.1021/jm0300577 | cGMP-specific 3',5'-cyclic phosphodiesterase | 2 |
| 14521415 | 10.1021/jm0300577 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine