Compound Detail
CHEMBL224128
20-HYDROXYECDYSONE 🧪 Phase II
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🧪 Phase II
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL224128 |
| Name | 20-HYDROXYECDYSONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NKDFYOWSKOHCCO-YPVLXUMRSA-N |
8
Targets
12
Activities
3
Assay Types
1
PK Parameters
20
Publications
21
Known Names
4
Indications
Molecular Properties
480.6
MW (Da)
1.85
ALogP
7
HBA
6
HBD
138.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Giardiasis Muscular Diseases Sarcopenia Severe Acute Respiratory Syndrome
Activity Summary
IC50 9 meas. best 7.34
Ki 2 meas. best 5.6
EC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ecdysone receptor CHEMBL2366581 | IC50 | 7.34 | 7.34 | 45.7 | 1 |
| Ecdysone receptor CHEMBL5676 | IC50 | 7.34 | 7.34 | 45.7 | 1 |
| Ecdysone receptor CHEMBL2366588 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
| Ecdysone receptor CHEMBL2366583 | IC50 | 6.36 | 6.36 | 436.5 | 1 |
| Ecdysone receptor CHEMBL2366589 | IC50 | 5.98 | 5.6167 | 1047.1 | 3 |
| Ecdysone receptor CHEMBL2366589 | Ki | 5.6 | 5.56 | 2500.0 | 2 |
| Ecdysone receptor CHEMBL1250403 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 4.27 | 4.27 | 53550.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.39 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine