Compound Detail
CHEMBL139521
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CN1CC(=O)N2[C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O
Basic Information
| ChEMBL ID | CHEMBL139521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOXKDUGGOYFFRN-IERDGZPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.21
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 6000.0 | nM | 5.22 | In vitro inhibitory activity against bovine phosphodiesterase 5 | 14521415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 14521415 | 10.1021/jm0300577 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 22377518 | 10.1016/j.bmcl.2012.01.118 | Class 1 phosphodiesterase PDEB1 | 1 |
Data from ChEMBL 36 via Core Engine