Compound Detail
CHEMBL133687
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Oc1c2c(nc3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ncc(-c3ccc(OCCN4CCOCC4)cc3)cn1)C2
Basic Information
| ChEMBL ID | CHEMBL133687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLQFFIKNQRJCOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
5.15
ALogP
9
HBA
1
HBD
93.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | Ki | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | Ki | = | 0.29 | nM | 9.54 | Phosphodiesterase 5 activity of human corpus cavernosum | 12213052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213052 | 10.1021/jm025545d | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine