Compound Detail
CHEMBL4750720
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Basic Information
| ChEMBL ID | CHEMBL4750720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNWATXOZJRJYNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
6.99
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of PDE-4 in human PBMC assessed as LPS-induced TNFalpha production in... | 27713015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27713015 | 10.1016/j.bmc.2016.09.011 | 3',5'-cyclic-AMP phosphodiesterase 4B | 3 |
| 27713015 | 10.1016/j.bmc.2016.09.011 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine