Compound Detail
CHEMBL4635901
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O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc2cc(Cl)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL4635901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXRLWPSECIUEIC-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
5.12
ALogP
3
HBA
4
HBD
93.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 578.3 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.08 | 5.08 | 8391.8 | 1 |
| Hepatocyte CHEMBL613362 | IC50 | 5.02 | 5.02 | 9460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 578.3 | nM | 6.24 | Inhibition of rabbit muscle Glycogen phosphorylase measured phosphate release fr... | 32527535 |
| HepG2 | IC50 | = | 8391.8 | nM | 5.08 | Inhibition of glycogenolysis in human HepG2 cells assessed as GCN-stimulated gly... | 32527535 |
| Hepatocyte | IC50 | = | 9460.0 | nM | 5.02 | Inhibition of glycogenolysis in rat hepatocytes assessed as GCN-stimulated glyco... | 32527535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32527535 | 10.1016/j.bmcl.2020.127117 | Unchecked | 1 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | HepG2 | 1 |
| 32527535 | 10.1016/j.bmcl.2020.127117 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine