Compound Detail
CHEMBL3792892
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Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)O[C@@H]1[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL3792892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSVVDBMAVSBGAQ-MYDWLSLHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.5
MW (Da)
3.14
ALogP
12
HBA
9
HBD
213.1
PSA (Ų)
0.13
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 4.88 | 4.88 | 13273.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 13273.0 | nM | 4.88 | Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) usin... | 26978121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26978121 | 10.1016/j.ejmech.2015.12.002 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine