Compound Detail
CHEMBL4209111
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Basic Information
| ChEMBL ID | CHEMBL4209111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRRGWHSEDYQKDQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.8
MW (Da)
4.59
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL3846 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 8.0 | nM | 8.1 | Allosteric modulation of human PDE4D | 29363967 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 8.0 | nM | 8.1 | Inhibition of PDE4D (unknown origin) | 32255344 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 130.0 | nM | 6.89 | Allosteric modulation of mouse PDE4D | 29363967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29363967 | 10.1021/acs.jmedchem.7b01370 | 3',5'-cyclic-AMP phosphodiesterase 4D | 2 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine