Compound Detail
CHEMBL1682853
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Basic Information
| ChEMBL ID | CHEMBL1682853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHOFDLRPFQRUEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.23
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.94 | 6.135 | 115.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 149.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 115.0 | nM | 6.94 | Inhibition of human recombinant GSK3-beta expressed in baculovirus infected SF9 ... | 21295469 |
| Glycogen synthase kinase-3 beta | IC50 | = | 4640.0 | nM | 5.33 | Inhibition of human GSK3-beta expressed in CHO AA8 cells co-expressing human tau... | 21295469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295469 | 10.1016/j.bmcl.2011.01.017 | Glycogen synthase kinase-3 beta | 2 |
| 21295469 | 10.1016/j.bmcl.2011.01.017 | Liver microsomes | 1 |
| 21295469 | 10.1016/j.bmcl.2011.01.017 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine