Compound Detail
CHEMBL236090
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CCCC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(=O)CCC
Basic Information
| ChEMBL ID | CHEMBL236090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAGOKHXMUGNERH-NNEARDRISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.9
MW (Da)
8.76
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.1 | 4.1 | 78700.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.1 | 78700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 78700.0 | nM | 4.1 | Inhibition of rabbit muscle glycogen phosphorylase a | 17869102 |
| Glycogen phosphorylase, muscle form | IC50 | = | 78700.0 | nM | 4.1 | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phos... | 21439694 |
| Glycogen phosphorylase, muscle form | IC50 | = | 79432.82 | nM | 4.1 | 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 |
| 17869102 | 10.1016/j.bmcl.2007.08.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine