Compound Detail
CHEMBL39300
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Basic Information
| ChEMBL ID | CHEMBL39300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMLJBPQUTWBABY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
2.97
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.02 | 9.02 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.95 | nM | 9.02 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 0.955 | nM | 9.02 | Inhibition of GSK3 | 17707953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699760 | 10.1016/s0960-894x(03)00135-5 | Cyclin-dependent kinase 2 | 2 |
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12699760 | 10.1016/s0960-894x(03)00135-5 | Glycogen synthase kinase-3 alpha | 1 |
Data from ChEMBL 36 via Core Engine