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Compound Detail

CHEMBL2348780

VAMOROLONE
💊 Approved Drug
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💊 Approved Drug
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348780
Name VAMOROLONE
Phase Approved
Structure Type MOL
InChI Key ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
Therapeutic ✓ Yes

Known Names

9,11-dehydro dexamethasone 9,11-dehydrodexamethasone acetate Agamree Vamorolona Vamorolone Vamorolone acetate VBP-15 Vbp-15 free alcohol
3
Targets
3
Activities
2
Assay Types
19
PK Parameters
18
Publications
8
Known Names
3
Indications
2
Mechanisms

Molecular Properties

356.5
MW (Da)
2.75
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -olone
USAN Year 2015

Extended Properties

Molecular Formula C22H28O4
MW 356.46
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 2.75

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Glucocorticoid receptor agonist AGONIST Glucocorticoid receptor ✓ ✓
Mineralocorticoid receptor antagonist ANTAGONIST Mineralocorticoid receptor ✓ ✓

Indications

Muscular Dystrophy, Duchenne Muscular Dystrophy, Duchenne Colitis, Ulcerative

ATC Classification

H02AB18
vamorolone
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: CORTICOSTEROIDS FOR SYSTEMIC USE

Activity Summary

IC50 2 meas. best 7.18
EC50 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear factor NF-kappa-B complex
CHEMBL2094258
 IC50 7.18 7.18 65.9 1
Unchecked
CHEMBL612545
 EC50 7.18 7.18 65.9 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.7 4.7 20000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 32912.0 ng.hr.mL-1 Mus musculus
AUC 8838.0 ng.hr.mL-1 Mus musculus
CL 20.2 mL.min-1.kg-1 Rattus norvegicus
CL 24.7 mL.min-1.kg-1 Canis lupus familiaris
CL 18.8 mL.min-1.kg-1 Mus musculus
F 53.2 % Canis lupus familiaris
F 47.8 % Rattus norvegicus
F 74.5 % Mus musculus
MRT 0.667 hr Mus musculus
T1/2 2.25 hr Canis lupus familiaris
T1/2 5.42 hr Canis lupus familiaris
T1/2 2.29 hr Rattus norvegicus
T1/2 0.58 hr Rattus norvegicus
T1/2 0.678 hr Mus musculus
T1/2 0.354 hr Mus musculus
Tmax 6.0 hr Canis lupus familiaris
Tmax 4.0 hr Rattus norvegicus
Tmax 2.0 hr Mus musculus
Tmax 0.0833 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 65.9 nM 7.18 Inhibition of TNFalpha-induced NFkappaB activation in mouse C2C12 cells incubate... 23498916
Nuclear factor NF-kappa-B complex IC50 = 65.9 nM 7.18 Inhibition of NF-kappaB (unknown origin) 38569434
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 20000.0 nM 4.7 Inhibition of human ERG 23498916

Literature References

PubMed DOI Target Context # Activities
23498916 10.1016/j.bmc.2013.02.009 Mus musculus 14
23498916 10.1016/j.bmc.2013.02.009 Rattus norvegicus 9
23498916 10.1016/j.bmc.2013.02.009 Canis familiaris 9
23498916 10.1016/j.bmc.2013.02.009 Nucleic Acid 7
23498916 10.1016/j.bmc.2013.02.009 Cytochrome P450 3A4 3
23498916 10.1016/j.bmc.2013.02.009 Caco-2 2
23498916 10.1016/j.bmc.2013.02.009 Cytochrome P450 2D6 2
23498916 10.1016/j.bmc.2013.02.009 Cytochrome P450 2C9 2
23498916 10.1016/j.bmc.2013.02.009 ADMET 2
23498916 10.1016/j.bmc.2013.02.009 Liver microsomes 2
23498916 10.1016/j.bmc.2013.02.009 Liver 2
23498916 10.1016/j.bmc.2013.02.009 Glucocorticoid receptor 2
23498916 10.1016/j.bmc.2013.02.009 No relevant target 1
23498916 10.1016/j.bmc.2013.02.009 Voltage-gated inwardly rectifying potassium channel KCNH2 1
23498916 10.1016/j.bmc.2013.02.009 Salmonella typhimurium 1
23498916 10.1016/j.bmc.2013.02.009 C2C12 1
23498916 10.1016/j.bmc.2013.02.009 Unchecked 1
38569434 10.1016/j.ejmech.2024.116333 Nuclear factor NF-kappa-B complex 1

Data from ChEMBL 36 via Core Engine