Compound Detail
CHEMBL3323454
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Cc1cc(C)c(NC(=O)Cc2cc3ccccc3cc2C(=O)N[C@H](C(=O)O)[C@@H](C)OC(C)(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL3323454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEARTYVEUSZCSI-HRFSGMKKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.33
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 7.0 | nM | 8.15 | Inhibition of rabbit muscle glycogen phosphorylase a assessed as inhibition of r... | 25062009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25062009 | 10.1016/j.ejmech.2014.07.063 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine