Compound Detail
CHEMBL471469
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Cc1cc(C)c(NC(=O)Nc2cc(-c3ccccc3)ccc2C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL471469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKBNLSFEFYTSCW-ZBLYBZFDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
6.31
ALogP
4
HBA
4
HBD
116.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 8.0 | 7.45 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human liver glycogen phosphorylase a by coupled kinetic fluorescen... | 19138846 |
| Glycogen phosphorylase, liver form | IC50 | = | 126.0 | nM | 6.9 | Inhibition of human glycogen phosphorylase a in HepG2 cells assessed as inhibiti... | 19138846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19138846 | 10.1016/j.bmcl.2008.12.085 | Glycogen phosphorylase, liver form | 2 |
Data from ChEMBL 36 via Core Engine