Compound Detail
CHEMBL81020
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Basic Information
| ChEMBL ID | CHEMBL81020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHBSLLKGHHNCQK-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.2
MW (Da)
3.50
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.88
Ki 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.88 | 6.88 | 131.0 | 3 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 6.63 | 6.63 | 235.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 131.0 | nM | 6.88 | In vitro inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 131.83 | nM | 6.88 | Inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 131.0 | nM | 6.88 | Inhibition of human neutrophil phosphodiesterase type IV (PDE4) | 11738561 |
| Phosphodiesterase 4 | Ki | = | 235.0 | nM | 6.63 | Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase t... | 11738561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738561 | 10.1016/s0960-894x(01)00668-0 | Phosphodiesterase 4 | 3 |
| 12852946 | 10.1016/s0960-894x(03)00493-1 | Phosphodiesterase 4 | 2 |
Data from ChEMBL 36 via Core Engine