Compound Detail
CHEMBL445649
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CN(C)C(=O)N1CCn2cc(C3=C(c4cccc5c4OCO5)C(=O)NC3=O)c3cccc(c32)C1
Basic Information
| ChEMBL ID | CHEMBL445649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCCWJPDOCPHFPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
2.43
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 3.2 | nM | 8.49 | Inhibitory concentration against the Glycogen synthase kinase-3 | 15686883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Unchecked | 3 |
| 15686883 | 10.1016/j.bmcl.2004.12.063 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine