Compound Detail
CHEMBL3092558
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Basic Information
| ChEMBL ID | CHEMBL3092558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISJMXGJOHQASQC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
5.94
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 8.52 | 8.46 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant PDE2A (unknown origin) expressed in baculovirus infect... | 24189054 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Recombinant PDE2A: The DNA encoding PDE2A (NM002599) was cloned an... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24189054 | 10.1016/j.bmcl.2013.10.014 | Unchecked | 1 |
| 24189054 | 10.1016/j.bmcl.2013.10.014 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 24189054 | 10.1016/j.bmcl.2013.10.014 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine