Compound Detail
CHEMBL2180771
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Basic Information
| ChEMBL ID | CHEMBL2180771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSPLHWROJCSRNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.2
MW (Da)
4.57
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.62 | 7.62 | 23.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 3.31 | nM | 8.48 | Inhibition of recombinant PDE2A expressed in baculovirus infected SF21 cells usi... | 22834877 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | IC50 | = | 23.7 | nM | 7.62 | Inhibition of recombinant PDE10A1 expressed in baculovirus infected SF21 cells u... | 22834877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22834877 | 10.1021/jm3004976 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 22834877 | 10.1021/jm3004976 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine