Compound Detail
CHEMBL112366
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Basic Information
| ChEMBL ID | CHEMBL112366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUPGNWKDDKVLPV-NRFANRHFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
2.16
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.57 | 6.435 | 270.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.32 | 6.14 | 480.0 | 2 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.18 | 6.18 | 654.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of phosphodiesterase 4 | 15149695 |
| Unchecked | IC50 | = | 480.0 | nM | 6.32 | In vitro inhibition of TNF-alpha release from human peripheral blood monocytes | 11123995 |
| Phosphodiesterase 4 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of phosphodiesterase type 4 isozyme (PDE4) from the U937 human cell l... | 11123995 |
| Phosphodiesterase 4 | IC50 | = | 654.0 | nM | 6.18 | Inhibition of [3H]rolipram binding to Wistar rat brain membranes | 11123995 |
| Unchecked | IC50 | = | 1090.0 | nM | 5.96 | In vitro inhibition of TNF-alpha-release from human whole blood | 11123995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11123995 | 10.1021/jm000315p | Phosphodiesterase 4 | 3 |
| 11123995 | 10.1021/jm000315p | Unchecked | 3 |
| 11123995 | 10.1021/jm000315p | Phosphodiesterase 3 | 1 |
| 11123995 | 10.1021/jm000315p | Phosphodiesterase, PDE1/PDE5 | 1 |
| 11123995 | 10.1021/jm000315p | Rattus norvegicus | 1 |
| 15149695 | 10.1016/j.bmcl.2004.03.067 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine