Compound Detail
CHEMBL144649
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Basic Information
| ChEMBL ID | CHEMBL144649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXPNXCHISHWKQD-HUUCEWRRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.90
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human recombinant PDE4B1 using FAM-cAMP as substrate incubated for... | 33412421 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | Ki | = | 27.0 | nM | 7.57 | Inhibition of human Phosphodiesterase 4B | 7490734 |
| Homo sapiens | IC50 | = | 290.0 | nM | 6.54 | Inhibition of LPS-induced TNF-alpha secretion from purified human peripheral blo... | 7490734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490734 | 10.1021/jm00024a012 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 7490734 | 10.1021/jm00024a012 | Homo sapiens | 1 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
Data from ChEMBL 36 via Core Engine