Compound Detail
CHEMBL2385559
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Basic Information
| ChEMBL ID | CHEMBL2385559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBLRKWUABXQBSO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.26
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 29.0 | nM | 7.54 | Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as sub... | 23602400 |
| NON-PROTEIN TARGET | IC50 | = | 220.0 | nM | 6.66 | Antiinflammatory activity in Balb/c mouse splenocytes assessed as LPS-induced TN... | 23602400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23602400 | 10.1016/j.bmcl.2013.03.104 | ADMET | 1 |
| 23602400 | 10.1016/j.bmcl.2013.03.104 | No relevant target | 1 |
| 23602400 | 10.1016/j.bmcl.2013.03.104 | NON-PROTEIN TARGET | 1 |
| 23602400 | 10.1016/j.bmcl.2013.03.104 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine