Compound Detail
CHEMBL459792
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Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL459792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPFQBHKMIRVBFO-OSPHWJPCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
5.43
ALogP
4
HBA
4
HBD
116.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 8.4 | 7.64 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human liver glycogen phosphorylase a by coupled kinetic fluorescen... | 19138846 |
| Glycogen phosphorylase, liver form | IC50 | = | 133.0 | nM | 6.88 | 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 |
| 19138846 | 10.1016/j.bmcl.2008.12.085 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine