acetoxolone indications/contra

Stem definitionDrug idCAS RN
steroids not used as glucocorticosteroids 62 6277-14-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • acetoxolone
  • acetylglycyrrhetic acid
  • acetylglycyrrhetinic acid
  • glycyrrhetic acid acetate
  • glycyrrhetinic acid acetate
  • glycyrrhetinyl acetate
  • Molecular weight: 512.73
  • Formula: C32H48O5
  • CLOGP: 7.42
  • LIPINSKI: 2
  • HAC: 5
  • HDO: 1
  • TPSA: 80.67
  • ALOGS: -5.97
  • ROTB: 3

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC A02BX09 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Other drugs for peptic ulcer and gastro-oesophageal reflux disease (GORD)

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Gastritis indication 4556007 DOID:4029

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.89 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Estradiol 17-beta-dehydrogenase 1 Enzyme IC50 4.73 CHEMBL
Corticosteroid 11-beta-dehydrogenase isozyme 1 Enzyme IC50 6.10 CHEMBL
Corticosteroid 11-beta-dehydrogenase isozyme 2 Enzyme IC50 6.70 CHEMBL
Estradiol 17-beta-dehydrogenase 2 Enzyme IC50 5.42 CHEMBL

External reference:

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IDSource
C0050521 UMLSCUI
16784 RXNORM
004300 NDDF
CHEMBL207413 ChEMBL_ID
94320 PUBCHEM_CID
C013384 MESH_SUPPLEMENTAL_RECORD_UI
CWW961Q19K UNII
CHEBI:81306 CHEBI

Pharmaceutical products:

None