Compound Detail
CHEMBL600003
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OC[C@H]1O[C@@H](n2cc(-c3ccc4ccccc4c3)nn2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL600003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQMXQDYTYFMQSE-UYTYNIKBSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
0.07
ALogP
8
HBA
4
HBD
120.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | Ki | 4.8 | 4.728 | 16000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | Ki | = | 16000.0 | nM | 4.8 | Inhibition of rabbit skeletal muscle glycogen phosphorylase b | 20080412 |
| Glycogen phosphorylase, muscle form | Ki | = | 16000.0 | nM | 4.8 | Inhibition of rabbit muscle glycogen phosphorylase b | 24900719 |
| Glycogen phosphorylase, muscle form | Ki | = | 16000.0 | nM | 4.8 | Inhibition of rabbit muscle glycogen phosphorylase b | 24608000 |
| Glycogen phosphorylase, muscle form | Ki | = | 16000.0 | nM | 4.8 | Competitive inhibition of rabbit muscle glycogen phosphorylase b using glucose-1... | 28925695 |
| Glycogen phosphorylase, muscle form | Ki | = | 36000.0 | nM | 4.44 | Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Dixon plot | 20080412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20080412 | 10.1016/j.bmc.2009.12.043 | Glycogen phosphorylase, muscle form | 2 |
| 24900719 | 10.1021/ml4001529 | Glycogen phosphorylase, muscle form | 1 |
| 24608000 | 10.1016/j.ejmech.2014.02.041 | Glycogen phosphorylase, muscle form | 1 |
| 28925695 | 10.1021/acs.jmedchem.7b01056 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine