Compound Detail
CHEMBL5269828
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Basic Information
| ChEMBL ID | CHEMBL5269828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JISGWKBRIFXTKG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.97
ALogP
7
HBA
0
HBD
74.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.38 | 8.365 | 4.1 | 2 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 4.12 | nM | 8.38 | Proximity Ligation Assay: Isolated cardiomyocytes were washed twice in PBS at ro... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 4.5 | nM | 8.35 | Inhibition of human recombinant PDE2A using [3H]-cAMP as substrate incubated for... | 33412421 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 670.0 | nM | 6.17 | Inhibition of human recombinant PDE10A using [3H]-cAMP as substrate incubated fo... | 33412421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33412421 | 10.1016/j.ejmech.2020.113123 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine