Compound Detail
CHEMBL5646602
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COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](NCCCCCCN4C(=O)C=CC4=O)[C@@]3(C)CC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL5646602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUFAORPFSVMJIW-VVAPRYPQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.99
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 940.0 | nM | 6.03 | Inhibition of his-tagged recombinant human PDE4D catalytic domain (T86 to S413 r... | 37918035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37918035 | 10.1016/j.ejmech.2023.115893 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine