Compound Detail
CHEMBL429686
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Basic Information
| ChEMBL ID | CHEMBL429686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZXHAZRYGADTJG-MRXNPFEDSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.43
ALogP
6
HBA
0
HBD
56.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 6.77 | 6.77 | 171.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | Ki | 6.32 | 6.32 | 474.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 171.0 | nM | 6.77 | Inhibition of PDE10A | 18299198 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | Ki | = | 370.0 | nM | 6.43 | Inhibition of PDE3A | 18299198 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | Ki | = | 474.0 | nM | 6.32 | Inhibition of PDE3B | 18299198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18299198 | 10.1016/j.bmc.2008.02.013 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 2 |
| 18299198 | 10.1016/j.bmc.2008.02.013 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 18299198 | 10.1016/j.bmc.2008.02.013 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
Data from ChEMBL 36 via Core Engine