Compound Detail
CHEMBL3427725
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Basic Information
| ChEMBL ID | CHEMBL3427725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOLZGTXIVBMXSC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
407.8
MW (Da)
4.38
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL6140 | IC50 | 5.61 | 5.61 | 2450.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.1 | - | Rattus norvegicus |
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 6-His-tagged human recombinant PDE2A expressed in Sf9 cells using ... | 25815146 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 3.0 | nM | 8.52 | Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro... | - |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 2450.0 | nM | 5.61 | Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [... | 25815146 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 2450.0 | nM | 5.61 | Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25815146 | 10.1021/ml500463t | Rattus norvegicus | 2 |
| 25815146 | 10.1021/ml500463t | Brain | 2 |
| 25815146 | 10.1021/ml500463t | Liver microsome | 2 |
| 25815146 | 10.1021/ml500463t | Nucleic Acid | 1 |
| 25815146 | 10.1021/ml500463t | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 25815146 | 10.1021/ml500463t | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine