Compound Detail
CHEMBL1081973
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Basic Information
| ChEMBL ID | CHEMBL1081973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDQANGQNSNERFS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
1.78
ALogP
5
HBA
3
HBD
91.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1060.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 0.4 | μg/mL | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to b... | 20138512 |
| Protein kinase C alpha type | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of PKCalpha | 20138512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138512 | 10.1016/j.bmcl.2010.01.038 | Mus musculus | 2 |
| 20138512 | 10.1016/j.bmcl.2010.01.038 | No relevant target | 1 |
| 20138512 | 10.1016/j.bmcl.2010.01.038 | Protein kinase C alpha type | 1 |
| 20138512 | 10.1016/j.bmcl.2010.01.038 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine