Compound Detail
CHEMBL4514774
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O=C1N=C(c2ccc3ccccc3c2)N[C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL4514774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSYAFZZRALZDHF-NSIVTLKISA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
-1.11
ALogP
7
HBA
5
HBD
131.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.95
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.95 | 5.7967 | 1130.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1130.0 | nM | 5.95 | Inhibition of rabbit muscle Glycogen phosphorylase a using glucose-1-phosphate a... | 31251604 |
| Unchecked | Ki | = | 1720.0 | nM | 5.76 | Inhibition of human liver Glycogen phosphorylase a using glucose-1-phosphate as ... | 31251604 |
| Unchecked | Ki | = | 2110.0 | nM | 5.68 | Inhibition of rabbit muscle Glycogen phosphorylase b using glucose-1-phosphate a... | 31251604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31251604 | 10.1021/acs.jmedchem.9b00356 | Unchecked | 5 |
| 31251604 | 10.1021/acs.jmedchem.9b00356 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine