Compound Detail
CHEMBL164181
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O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL164181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCOMDRLLHOXCTP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
5.85
ALogP
6
HBA
1
HBD
110.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 130.0 | nM | 6.89 | Inhibitory activity against PDE5 from human corpus cavernosum | 12639576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639576 | 10.1016/s0960-894x(02)01036-3 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine