Compound Detail
CHEMBL4087412
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Basic Information
| ChEMBL ID | CHEMBL4087412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOQJMNVKRKGOBN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.39
ALogP
6
HBA
0
HBD
72.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.7 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 2.2 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as subst... | 28165743 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 3.0 | nM | 8.52 | Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28165743 | 10.1021/acs.jmedchem.6b01793 | Liver | 2 |
| 28165743 | 10.1021/acs.jmedchem.6b01793 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 28165743 | 10.1021/acs.jmedchem.6b01793 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine