Compound Detail
CHEMBL4215012
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Basic Information
| ChEMBL ID | CHEMBL4215012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQRGTIMUCZUFJO-NXZBIGBUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
5.39
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3593154 | IC50 | 5.17 | 5.17 | 6760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2270.0 | nM | 5.64 | Inhibition of rat small intestinal mucosal alpha-glucosidase using p-nitrophenyl... | 29634260 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | IC50 | = | 6760.0 | nM | 5.17 | Inhibition of pig liver microsomal HMG-CoA reductase by colorimetric method | 29634260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29634260 | 10.1021/acs.jmedchem.8b00107 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 2 |
| 29634260 | 10.1021/acs.jmedchem.8b00107 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine