Compound Detail
CHEMBL4453774
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COc1c(OCCCCCCCC(=O)O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4
Basic Information
| ChEMBL ID | CHEMBL4453774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFUXTEBBAAQHCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
7.16
ALogP
7
HBA
2
HBD
115.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human PDE4D2 (86 to 413 residues) expressed in Escherichia coli BL... | 32115956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32115956 | 10.1021/acs.jmedchem.0c00060 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine