Compound Detail
CHEMBL164755
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O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL164755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBWMHHZJSVNSTL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
6.96
ALogP
4
HBA
1
HBD
67.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 126.0 | nM | 6.9 | 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