Compound Detail
CHEMBL3323453
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O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC(C(=O)O)C1)c1c[nH]c2ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL3323453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBHZSJGPCYNTMM-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
2.71
ALogP
3
HBA
3
HBD
102.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 45.0 | nM | 7.35 | 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