Compound Detail
CHEMBL4078053
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Basic Information
| ChEMBL ID | CHEMBL4078053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEQCCXANGRRZOT-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
2.84
ALogP
6
HBA
2
HBD
102.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of recombinant human full-length His-tagged PDE2A3 expressed in fall ... | 28796496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28796496 | 10.1021/acs.jmedchem.7b00807 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine