Compound Detail
CHEMBL337472
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Basic Information
| ChEMBL ID | CHEMBL337472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGLHMBUBJLAQPE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
5.69
ALogP
3
HBA
0
HBD
31.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 750.0 | nM | 6.12 | Concentration to inhibit 50% of Phosphodiesterase 4 (PDE-4) from guinea pig macr... | 9784096 |
| Phosphodiesterase 4 | Ki | = | 1600.0 | nM | 5.8 | Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]-... | 9784096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784096 | 10.1021/jm970575f | Phosphodiesterase 4 | 2 |
Data from ChEMBL 36 via Core Engine