Compound Detail
CHEMBL230006
ENOXOLONE 🧪 Phase II
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🧪 Phase II
CC1(C)[C@@H](O)CC[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]12
Basic Information
| ChEMBL ID | CHEMBL230006 |
| Name | ENOXOLONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MPDGHEJMBKOTSU-YKLVYJNSSA-N |
52
Targets
129
Activities
4
Assay Types
0
PK Parameters
20
Publications
4
Known Names
3
Indications
Molecular Properties
470.7
MW (Da)
6.41
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Mineralocorticoid Excess Syndrome, Apparent Skin Ulcer Depressive Disorder, Major
ATC Classification
D03AX10
enoxolone
Level 1: DERMATOLOGICALS
Level 2: PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
Activity Summary
IC50 113 meas. best 8.92
EC50 10 meas. best 6.05
Ki 5 meas. best 6.54
Kd 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 8.92 | 7.98 | 1.2 | 5 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.7 | 8.09 | 2.0 | 6 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.07 | 7.331 | 8.6 | 10 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 7.05 | 7.05 | 90.0 | 2 |
| Protein kinase C eta type CHEMBL3616 | Kd | 6.6 | 6.6 | 250.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Lactoylglutathione lyase CHEMBL2175 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2908 | IC50 | 6.44 | 6.44 | 360.0 | 2 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 6.28 | 6.28 | 524.8 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 6.26 | 6.26 | 549.5 | 1 |
| PC-12 CHEMBL612556 | EC50 | 6.05 | 6.05 | 890.0 | 1 |
| Brugia malayi CHEMBL613140 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Aldo-keto reductase family 1 member B10 CHEMBL5983 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.14 | 4.2775 | 7300.0 | 8 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.02 | 5.02 | 9600.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Beta-glucuronidase CHEMBL3217380 | IC50 | 4.92 | 4.92 | 12150.0 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.75 | 4.74 | 18000.0 | 2 |
| NIH3T3 CHEMBL614822 | EC50 | 4.73 | 4.73 | 18700.0 | 2 |
| Hepatitis B virus CHEMBL613497 | IC50 | 4.68 | 4.545 | 20860.0 | 2 |
| Liver carboxylesterase 1 CHEMBL2265 | IC50 | 4.68 | 4.68 | 20970.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.388 | 22300.0 | 5 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.61 | 4.61 | 24800.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.49 | 4.19 | 32600.0 | 4 |
| A549 CHEMBL392 | IC50 | 4.44 | 4.138 | 36150.0 | 5 |
| NCI-H460 CHEMBL396 | IC50 | 4.42 | 4.42 | 37650.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.35 | 4.1567 | 44510.0 | 3 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.34 | 4.34 | 45620.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.34 | 4.34 | 45800.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.26 | 4.23 | 55280.0 | 2 |
| T-24 CHEMBL614774 | IC50 | 4.25 | 4.25 | 56780.0 | 1 |
| Glycogen phosphorylase, muscle form CHEMBL4696 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 4.18 | 4.18 | 65400.0 | 1 |
| Bel7402/5-FU CHEMBL4483230 | IC50 | 4.16 | 4.16 | 69770.0 | 1 |
| Cocaine esterase CHEMBL3180 | IC50 | 4.16 | 4.16 | 69260.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.13 | 4.13 | 74570.0 | 2 |
| NCI/ADR-RES CHEMBL613829 | IC50 | 4.13 | 4.13 | 74490.0 | 1 |
| SW-1736 CHEMBL614773 | IC50 | 4.11 | 4.11 | 76930.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 4.1 | 4.1 | 80090.0 | 2 |
| A-431 CHEMBL614069 | IC50 | 4.1 | 4.1 | 79580.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 4.1 | 4.1 | 78850.0 | 2 |
| HT-29 CHEMBL384 | EC50 | 4.1 | 4.1 | 80090.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.1 | 4.08 | 78830.0 | 3 |
| DLD-1 CHEMBL614285 | IC50 | 4.09 | 4.09 | 81210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine