Compound Detail
CHEMBL1927721
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Basic Information
| ChEMBL ID | CHEMBL1927721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHZBCNBXKITSRK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.2
MW (Da)
4.12
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 5.77 | 5.77 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of PDE7A assessed as hydrolysis of [3H]cAMP after 20 mins by scintill... | 22100138 |
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of PDE7A (unknown origin) | 34742016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22100138 | 10.1016/j.ejmech.2011.10.040 | NON-PROTEIN TARGET | 3 |
| 22100138 | 10.1016/j.ejmech.2011.10.040 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 22100138 | 10.1016/j.ejmech.2011.10.040 | ADMET | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
Data from ChEMBL 36 via Core Engine