Compound Detail
CHEMBL141975
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CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(C#N)cc3)N2C1=O
Basic Information
| ChEMBL ID | CHEMBL141975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APRRYVXAPDLUIH-IFMALSPDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.12
ALogP
3
HBA
1
HBD
80.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.04 | 6.04 | 912.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 900.0 | nM | 6.05 | Inhibitory activity against bovine PDE5 (phosphodiesterase-5). | 14521414 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 912.01 | nM | 6.04 | Inhibition of PDE5 | 18656371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521414 | 10.1021/jm030056e | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 14521414 | 10.1021/jm030056e | Unchecked | 1 |
| 18656371 | 10.1016/j.bmc.2008.07.022 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine