Compound Detail
CHEMBL4636142
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Basic Information
| ChEMBL ID | CHEMBL4636142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMIPUMCSNGWERG-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
399.8
MW (Da)
2.36
ALogP
3
HBA
4
HBD
111.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.54 | 6.54 | 289.4 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.49 | 5.49 | 3238.9 | 1 |
| Hepatocyte CHEMBL613362 | IC50 | 5.15 | 5.15 | 7150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6940.22 | ng.hr.mL-1 | Mus musculus |
| AUC | 7520.34 | ng.hr.mL-1 | Mus musculus |
| AUC | 7485.33 | ng.hr.mL-1 | Mus musculus |
| CL | 9600.0 | mL.min-1.g-1 | Mus musculus |
| CL | 38.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 2.417 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 289.4 | nM | 6.54 | Inhibition of rabbit muscle Glycogen phosphorylase measured phosphate release fr... | 32527535 |
| HepG2 | IC50 | = | 3238.9 | nM | 5.49 | Inhibition of glycogenolysis in human HepG2 cells assessed as GCN-stimulated gly... | 32527535 |
| Hepatocyte | IC50 | = | 7150.0 | nM | 5.15 | Inhibition of glycogenolysis in rat hepatocytes assessed as GCN-stimulated glyco... | 32527535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32527535 | 10.1016/j.bmcl.2020.127117 | Mus musculus | 17 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | No relevant target | 5 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | ADMET | 4 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | Unchecked | 1 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | HepG2 | 1 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine