Compound Detail
CHEMBL165117
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Nc1ccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL165117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGBHMNDYUQZHBN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
5.53
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 7.19 | 7.05 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 64.0 | nM | 7.19 | Binding affinity to PDE5 (unknown origin) assessed as inhibition constant | 33528252 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 123.0 | nM | 6.91 | 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 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine