Compound Detail
CHEMBL280439
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CCN(CC)CCOc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)CCO4)nc2)cc1
Basic Information
| ChEMBL ID | CHEMBL280439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVWJVGHTKLDAGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.7
MW (Da)
6.16
ALogP
8
HBA
1
HBD
83.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL4567 | Ki | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 0.53 | nM | 9.28 | Phosphodiesterase 5 activity of human corpus cavernosum | 12213052 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 0.53 | nM | 9.28 | Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells | 15771456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213052 | 10.1021/jm025545d | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15771456 | 10.1021/jm0401098 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine