Compound Detail
CHEMBL219451
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Basic Information
| ChEMBL ID | CHEMBL219451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUQPRMFKNDQDDT-QGZVFWFLSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.70
ALogP
7
HBA
0
HBD
65.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | Ki | 7.21 | 7.21 | 61.0 | 2 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | Ki | 7.06 | 7.06 | 88.0 | 2 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | Ki | 7.03 | 7.03 | 94.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.03 | 7.03 | 94.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | Ki | = | 61.0 | nM | 7.21 | Inhibition of human recombinant PDE3A transfected in Sf9 cells by SPA | 17228859 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | Ki | = | 61.0 | nM | 7.21 | Inhibition of PDE3A | 18299198 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | Ki | = | 88.0 | nM | 7.06 | Inhibition of human recombinant PDE3B transfected in Sf9 cells by SPA | 17228859 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | Ki | = | 88.0 | nM | 7.06 | Inhibition of PDE3B | 18299198 |
| Unchecked | Ki | = | 94.0 | nM | 7.03 | Inhibition of rat recombinant PDE10A transfected in Sf9 cells by SPA | 17228859 |
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Ki | = | 94.0 | nM | 7.03 | Inhibition of PDE10A | 18299198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228859 | 10.1021/jm060653b | Unchecked | 3 |
| 18299198 | 10.1016/j.bmc.2008.02.013 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 2 |
| 17228859 | 10.1021/jm060653b | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 17228859 | 10.1021/jm060653b | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 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