Compound Detail
CHEMBL1779976
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Basic Information
| ChEMBL ID | CHEMBL1779976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTZOPPLFULGANJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
4.77
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A CHEMBL4640 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B CHEMBL4408 | IC50 | 8.3 | 8.3 | 5.0 | 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 8A | IC50 | = | 1.8 | nM | 8.74 | Inhibition of PDE8A | 21459572 |
| High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B | IC50 | = | 5.0 | nM | 8.3 | Inhibition of PDE8B | 21459572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459572 | 10.1016/j.bmcl.2011.03.022 | Unchecked | 4 |
| 21459572 | 10.1016/j.bmcl.2011.03.022 | High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A | 1 |
| 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