diacerein Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
849 13739-02-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • diacerein
  • artrodar
  • diacerhein
  • diacetylrhein
  • fisiodar
chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase
  • Molecular weight: 368.30
  • Formula: C19H12O8
  • CLOGP: 2.13
  • LIPINSKI: 0
  • HAC: 8
  • HDO: 1
  • TPSA: 124.04
  • ALOGS: -3.96
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC M01AX21 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Other antiinflammatory and antirheumatic agents, non-steroids
MeSH PA D000893 Anti-Inflammatory Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.67 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Caspase-3 Enzyme EC50 5.10 CHEMBL
Caspase-7 Enzyme EC50 4.83 CHEMBL
Female germline-specific tumor suppressor gld-1 Unclassified IC50 5.14 CHEMBL

External reference:

IDSource
D07270 KEGG_DRUG
C0057678 UMLSCUI
CHEBI:94708 CHEBI
CHEMBL41286 ChEMBL_ID
DB11994 DRUGBANK_ID
26248 PUBCHEM_CID
C025292 MESH_SUPPLEMENTAL_RECORD_UI
10800 IUPHAR_LIGAND_ID
5371 INN_ID
4HU6J11EL5 UNII
22759 RXNORM
005800 NDDF
702835000 SNOMEDCT_US
714674003 SNOMEDCT_US

Pharmaceutical products:

None