Compound Detail
CHEMBL577380
BREDEMOLIC ACID Enter ChEMBL ID:
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL577380 |
| Name | BREDEMOLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDZKJHQSJHYOHJ-SXISEVPCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.20
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 5.2 | 5.2 | 6250.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 6250.0 | nM | 5.2 | Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthe... | 18847277 |
| Glycogen phosphorylase, muscle form | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
| Glycogen phosphorylase, muscle form | IC50 | = | 6250.0 | nM | 5.2 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21439694 | 10.1016/j.ejmech.2011.02.053 | Glycogen phosphorylase, muscle form | 2 |
| 18847277 | 10.1021/np8003886 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine