Compound Detail
CHEMBL1830638
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Basic Information
| ChEMBL ID | CHEMBL1830638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPPKVWKIBHEEGN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
2.25
ALogP
10
HBA
1
HBD
100.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Blood CHEMBL613416 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.8 | nM | 9.1 | Inhibition of human PDE4B1 assessed as inhibition of [3H]cAMP hydrolysis to [3H]... | 21871695 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 2.3 | nM | 8.64 | Inhibition of human PDE4D3 assessed as inhibition of [3H]cAMP hydrolysis to [3H]... | 21871695 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 4.8 | nM | 8.32 | Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]... | 21871695 |
| Blood | IC50 | = | 112.0 | nM | 6.95 | Inhibition of LPS-induced TNFalpha production in human whole blood after 24 hrs ... | 21871695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21871695 | 10.1016/j.ejmech.2011.07.054 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 21871695 | 10.1016/j.ejmech.2011.07.054 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 21871695 | 10.1016/j.ejmech.2011.07.054 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 21871695 | 10.1016/j.ejmech.2011.07.054 | Blood | 1 |
Data from ChEMBL 36 via Core Engine