Compound Detail
CHEMBL450104
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O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL450104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRADTVPEZAWXOT-OWVAZHOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
-0.63
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 10000.0 | nM | 5.0 | Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorga... | 25092521 |
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 |
| 20080412 | 10.1016/j.bmc.2009.12.043 | Glycogen phosphorylase, muscle form | 1 |
| 23938052 | 10.1016/j.bmc.2013.07.024 | Glycogen phosphorylase, muscle form | 1 |
| 25092521 | 10.1016/j.bmc.2014.06.058 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine