Compound Detail
CHEMBL1797016
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CCC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(=O)CC
Basic Information
| ChEMBL ID | CHEMBL1797016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTOPLVROGYBJTB-CHVYLGJISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.8
MW (Da)
8.13
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.98 | 4.98 | 10471.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form | IC50 | = | 10471.29 | nM | 4.98 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
| Glycogen phosphorylase, muscle form | IC50 | = | 10500.0 | nM | 4.98 | 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 |
Data from ChEMBL 36 via Core Engine