Compound Detail
CHEMBL4225398
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Basic Information
| ChEMBL ID | CHEMBL4225398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJRZFKMJTJVLFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.7
MW (Da)
6.14
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of PDE2 (unknown origin) | 29534798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29534798 | 10.1016/j.bmcl.2018.01.039 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine