idebenone 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
1416 58186-27-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • hydroxydecyl ubiquinone
  • CV-2619
  • CV 2619
  • idebenone
  • daruma
  • raxone
  • Molecular weight: 338.44
  • Formula: C19H30O5
  • CLOGP: 3.42
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 72.83
  • ALOGS: -4.32
  • ROTB: 12

Drug dosage:

DoseUnitRoute
0.90 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 0.50 % Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 0.01 mg/mL Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 1 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 76
kinase-selectivity-class ACVR2B,AXL,BRAF,CAMK2A,CAMK2D,CDK16,CDK4,CDK9,DDR1,EIF2AK3,EPHB4,ERBB2,FLT4,GRK2,IRAK1,IRAK3,JAK2,MAP2K6,MAP3K14,MAP3K7,MAPK12,MAPK7,MAPK8,MARK4,MTOR,PLK1,PLK2,PLK3,PLK4,PRKDC,PTK2,SIK2,STK33,SYK,TEK,TTK,TYRO3,ULK1,ZAP70 39
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Sept. 8, 2015 EMA

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC N06BX13 NERVOUS SYSTEM
PSYCHOANALEPTICS
PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Other psychostimulants and nootropics
MeSH PA D000975 Antioxidants
MeSH PA D020011 Protective Agents
CHEBI has role CHEBI:22586 antioxidant
CHEBI has role CHEBI:35705 immunosuppressive agent
CHEBI has role CHEBI:173084 ferroptosis inhibitor

Related Drugs by ATC class:

N06BX Other psychostimulants and nootropics 19 drugs

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Leber's optic atrophy indication 58610003 DOID:705




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

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
Cytochrome P450 3A4 Enzyme IC50 5.16 DRUG MATRIX
Cytochrome P450 2D6 Enzyme IC50 5.52 DRUG MATRIX
Cytochrome P450 2C9 Enzyme IC50 5.30 DRUG MATRIX
Cytochrome P450 2C19 Enzyme IC50 6.10 DRUG MATRIX
NAD-dependent protein deacetylase Enzyme IC50 5.72 CHEMBL

External reference:

IDSource
D01750 KEGG_DRUG
C0123163 UMLSCUI
CHEBI:31687 CHEBI
CHEMBL252556 ChEMBL_ID
DB09081 DRUGBANK_ID
C036619 MESH_SUPPLEMENTAL_RECORD_UI
3686 PUBCHEM_CID
5465 INN_ID
HB6PN45W4J UNII
51296 RXNORM
006795 NDDF
428158006 SNOMEDCT_US
429666007 SNOMEDCT_US

Pharmaceutical products:

None