Compound Detail
CHEMBL2171427
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Basic Information
| ChEMBL ID | CHEMBL2171427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKIKOEVWSHWHSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.76
ALogP
7
HBA
2
HBD
102.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
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 | = | 73.0 | nM | 7.14 | Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by ... | 22944118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22944118 | 10.1016/j.bmcl.2012.07.077 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
Data from ChEMBL 36 via Core Engine