Compound Detail
CHEMBL168989
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Basic Information
| ChEMBL ID | CHEMBL168989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NATRJPUHKUBOOU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.39
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE... | 9526558 |
| Phosphodiesterase 4 | IC50 | = | 7000.0 | nM | 5.16 | Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) ... | 9526558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526558 | 10.1021/jm970090r | Phosphodiesterase 4 | 2 |
| 9526558 | 10.1021/jm970090r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine