Compound Detail
CHEMBL490000
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O=C(NC(=O)c1cccc2ccccc12)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL490000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEHFJUDJKOIMSO-OWVAZHOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
-0.92
ALogP
7
HBA
6
HBD
148.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 5.3 | 4.98 | 5000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 5000.0 | nM | 5.3 | Inhibition of rabbit muscle glycogen phosphorylase b | 18793852 |
| Glycogen phosphorylase, muscle form | Ki | = | 15000.0 | nM | 4.82 | Inhibition of rabbit muscle glycogen phosphorylase b | 19450985 |
| Glycogen phosphorylase, muscle form | Ki | = | 15000.0 | nM | 4.82 | Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Lineweaver-Burk... | 23938052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18793852 | 10.1016/j.bmcl.2008.08.052 | Glycogen phosphorylase, muscle form | 1 |
| 19450985 | 10.1016/j.bmc.2009.04.036 | Glycogen phosphorylase, muscle form | 1 |
| 23938052 | 10.1016/j.bmc.2013.07.024 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine