Compound Detail
CHEMBL1096813
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Basic Information
| ChEMBL ID | CHEMBL1096813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBNYLXCDRMDCFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.2
MW (Da)
3.71
ALogP
7
HBA
2
HBD
110.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL... | 20378348 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PDE4 expressed in HEK293 cells coexpressing cyclic nucleotide gate... | 20378348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20378348 | 10.1016/j.bmcl.2010.03.023 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 20378348 | 10.1016/j.bmcl.2010.03.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine