Compound Detail
CHEMBL2019131
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Basic Information
| ChEMBL ID | CHEMBL2019131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJECPNALIZBQRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
3.96
ALogP
6
HBA
2
HBD
93.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 7.1 | 7.1 | 80.0 | 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 | = | 80.0 | nM | 7.1 | Displacement of [3H]-cAMP from human recombinant PDE7A | 22487174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22487174 | 10.1016/j.bmcl.2012.03.025 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 2 |
Data from ChEMBL 36 via Core Engine