Compound Detail
CHEMBL3916767
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O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3916767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCKKIPCWUZKXJQ-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
2.85
ALogP
4
HBA
3
HBD
102.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 178.0 | nM | 6.75 | Inhibition of rabbit muscle glycogen phosphorylase b using 10 mM of glucose-1-ph... | 27624527 |
| Glycogen phosphorylase, liver form | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human recombinant liver glycogen phosphorylase A expressed in bacu... | 27624527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27624527 | 10.1016/j.bmc.2016.08.069 | Glycogen phosphorylase, liver form | 1 |
| 27624527 | 10.1016/j.bmc.2016.08.069 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine