Compound Detail
CHEMBL3957357
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Basic Information
| ChEMBL ID | CHEMBL3957357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXVWOXLABRWNAU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.1
MW (Da)
2.72
ALogP
8
HBA
2
HBD
85.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 9.51 | 8.67 | 0.3 | 2 |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha CHEMBL3741 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.31 | nM | 9.51 | Enzyme Assay: The test compound or solvent was incubated at 25° C. for 15 min wi... | - |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 14.9 | nM | 7.83 | Caliper Mobility-Shift Assay: To a 96-well plate, 20 μL, of 10 μM FL-cGMP as the... | - |
| Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha | IC50 | = | 310.0 | nM | 6.51 | Enzyme Assay: Method: The test compound or solvent was incubated at 25° C. for 1... | - |
Data from ChEMBL 36 via Core Engine