Compound Detail
CHEMBL351744
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Cc1ncc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)CCO4)nc2)n1C
Basic Information
| ChEMBL ID | CHEMBL351744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXGXIIXMUWRANB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
4.75
ALogP
6
HBA
1
HBD
71.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 24.0 | nM | 7.62 | 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 |
| 12639576 | 10.1016/s0960-894x(02)01036-3 | Phosphodiesterase, PDE1/PDE5 | 1 |
| 12639576 | 10.1016/s0960-894x(02)01036-3 | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | 1 |
| 12639576 | 10.1016/s0960-894x(02)01036-3 | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | 1 |
| 12639576 | 10.1016/s0960-894x(02)01036-3 | Phosphodiesterase 4 and 5 (PDE4 and PDE5) | 1 |
| 12639576 | 10.1016/s0960-894x(02)01036-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine