Compound Detail
CHEMBL1779986
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CCCC[C@@H]1C[C@@H](C(=O)NCc2cccc(C)n2)CN(Cc2nc(-c3ccccc3)oc2C)C1
Basic Information
| ChEMBL ID | CHEMBL1779986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRMOILOCCURUIT-ISKFKSNPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
5.30
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B CHEMBL4408 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B | IC50 | = | 15.0 | nM | 7.82 | Inhibition of PDE8B | 21459572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459572 | 10.1016/j.bmcl.2011.03.022 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B | 1 |
Data from ChEMBL 36 via Core Engine