Compound Detail
CHEMBL66993
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Basic Information
| ChEMBL ID | CHEMBL66993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POXGYBNJJBFCDU-MZJWZYIUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
2.55
ALogP
8
HBA
2
HBD
100.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of glycogen synthase kinase-3 (GSK3-beta) | 15080993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15080993 | 10.1016/j.bmcl.2004.02.037 | Glycogen synthase kinase-3 | 3 |
| 15080993 | 10.1016/j.bmcl.2004.02.037 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine