Compound Detail
CHEMBL1098541
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Basic Information
| ChEMBL ID | CHEMBL1098541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOWUXSALYJYWJG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.3
MW (Da)
4.88
ALogP
7
HBA
2
HBD
110.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL... | 20378348 |
| Unchecked | IC50 | = | 890.0 | nM | 6.05 | 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 |
| 20378348 | 10.1016/j.bmcl.2010.03.023 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine