Compound Detail
CHEMBL3092052
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Basic Information
| ChEMBL ID | CHEMBL3092052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCQFFDGNIAAKNY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
4.55
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
| Hepatocyte CHEMBL3140324 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1830.0 | nM | 5.74 | Inhibition of RML prion protein infected in mouse dividing ScN2a-cl3 cells expre... | 24183589 |
| Hepatocyte | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of glucagon-mediated gluconeogenesis in mouse primary hepatocytes pre... | 29733999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24183589 | 10.1016/j.bmc.2013.09.022 | ADMET | 1 |
| 24183589 | 10.1016/j.bmc.2013.09.022 | Unchecked | 1 |
| 29733999 | 10.1016/j.ejmech.2018.04.028 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine