Compound Detail
CHEMBL3670399
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Basic Information
| ChEMBL ID | CHEMBL3670399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBEQXRUPYAKWEQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.19
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 8.25 | 8.25 | 5.7 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 7B CHEMBL4716 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 5.67 | nM | 8.25 | Scintillation Proximity Assay: The assay method used was a scintillation proximi... | - |
| 3',5'-cyclic-AMP phosphodiesterase 7B | IC50 | = | 9.27 | nM | 8.03 | Scintillation Proximity Assay: The assay method used was a scintillation proximi... | - |
Data from ChEMBL 36 via Core Engine