Compound Detail
CHEMBL3693370
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Basic Information
| ChEMBL ID | CHEMBL3693370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOKPOAVUCNJJLK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
2.80
ALogP
8
HBA
1
HBD
94.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 7.0 | nM | 8.15 | Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 7.0 | nM | 8.15 | Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ... | - |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 22.0 | nM | 7.66 | Fluorescence Polarization Assay: The inhibition of PDE 2A or 10 enzyme activity ... | - |
Data from ChEMBL 36 via Core Engine