Compound Detail
CHEMBL5968094
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COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(OCCN2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5968094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDTMAOSZNIAXOR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
728.9
MW (Da)
8.15
ALogP
11
HBA
3
HBD
136.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.57 | 5.57 | 2666.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 2666.0 | nM | 5.57 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine