Compound Detail
CHEMBL1821791
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Basic Information
| ChEMBL ID | CHEMBL1821791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APPGRRPQVWDLLC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL94954 |
| Active Moiety | CHEMBL94954 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.85
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A CHEMBL4409 | IC50 | 7.31 | 7.31 | 48.8 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.4 | 5.4 | 3980.0 | 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 | IC50 | = | 48.8 | nM | 7.31 | Inhibition of human recombinant PDE10A assessed as reduction in hydrolysis of [3... | 21705115 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of PDE3B assessed as reduction in hydrolysis of [3H]cAMP by scintilla... | 21705115 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 3980.0 | nM | 5.4 | Inhibition of PDE3A assessed as reduction in hydrolysis of [3H]cAMP by scintilla... | 21705115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21705115 | 10.1016/j.ejmech.2011.05.072 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 21705115 | 10.1016/j.ejmech.2011.05.072 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 21705115 | 10.1016/j.ejmech.2011.05.072 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
Data from ChEMBL 36 via Core Engine