Compound Detail
CHEMBL5866923
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COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc([S+]([O-])C5CC5)c4)n3)c3ccccc23)cn1
Basic Information
| ChEMBL ID | CHEMBL5866923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBGLTBQBSSNCKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
688.8
MW (Da)
7.97
ALogP
10
HBA
3
HBD
151.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 125.0 | nM | 6.9 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine