Compound Detail
CHEMBL458655
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(-c2cccc(F)c2)ccc1C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL458655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJQXMDVHQGMWFX-DFXYEROKSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
589.7
MW (Da)
7.09
ALogP
4
HBA
4
HBD
116.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 8.52 | 7.68 | 3.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 908.92 | nM | Rattus norvegicus |
| F | 27.0 | % | Rattus norvegicus |
| T1/2 | 2.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human liver glycogen phosphorylase a by coupled kinetic fluorescen... | 19138846 |
| Glycogen phosphorylase, liver form | IC50 | = | 145.0 | nM | 6.84 | 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 | Rattus norvegicus | 6 |
| 19138846 | 10.1016/j.bmcl.2008.12.085 | Glycogen phosphorylase, liver form | 2 |
| 19138846 | 10.1016/j.bmcl.2008.12.085 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine