Compound Detail
CHEMBL3765663
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OC[C@H]1O[C@@]2(CC(c3cc4ccccc4s3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3765663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJTHWHQWKHALHE-LMXXTMHSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
0.20
ALogP
8
HBA
4
HBD
111.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 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 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of rabbit muscle glycogen phosphorylase b | 26708111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26708111 | 10.1016/j.ejmech.2015.12.004 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine