Compound Detail
CHEMBL4102271
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Basic Information
| ChEMBL ID | CHEMBL4102271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQWVMJBAWVBOCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.60
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 4100.0 | nM | 5.39 | 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 |
| 28796496 | 10.1021/acs.jmedchem.7b00807 | Unchecked | 1 |
| 28796496 | 10.1021/acs.jmedchem.7b00807 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine