Compound Detail
CHEMBL207413
ACETOXOLONE Enter ChEMBL ID:
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL207413 |
| Name | ACETOXOLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTQDJVZNPJRVPG-XWEVEMRCSA-N |
6
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
10
Known Names
2
Indications
Molecular Properties
512.7
MW (Da)
6.98
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.40
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Gastroesophageal Reflux Peptic Ulcer
ATC Classification
A02BX09
acetoxolone
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR ACID RELATED DISORDERS
Activity Summary
IC50 14 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 6.7 | 6.0325 | 201.0 | 4 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.1 | 5.465 | 800.0 | 4 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 5.42 | 5.42 | 3780.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
| Cocaine esterase CHEMBL3180 | IC50 | 4.39 | 4.39 | 40510.0 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 4.3 | 4.3 | 49860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine