Compound Detail
CHEMBL3793522
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C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL3793522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXSZULOVDUOZKO-WQOBHKPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
616.8
MW (Da)
7.95
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.27 | 6.27 | 542.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 542.0 | nM | 6.27 | 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