ademetionine ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
2414 29908-03-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ademetionin
  • methioninyl adenylate
  • s-adenosylmethionine
  • ademetionine
  • donamet
Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed)
  • Molecular weight: 398.44
  • Formula: C15H22N6O5S
  • CLOGP: -4.28
  • LIPINSKI: 1
  • HAC: 11
  • HDO: 4
  • TPSA: 185.46
  • ALOGS: -2.45
  • ROTB: 7

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 62.74 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 5 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Confabulation 112.31 46.30 15 565 289 56291198
Serotonin syndrome 75.26 46.30 22 558 26468 56265019
Nystagmus 68.07 46.30 15 565 5810 56285677
Drug interaction 59.95 46.30 33 547 209722 56081765
Right aortic arch 56.58 46.30 8 572 236 56291251
Rhabdomyolysis 54.20 46.30 19 561 40639 56250848
Congenital arterial malformation 54.00 46.30 8 572 329 56291158

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Confabulation 107.58 45.95 15 632 455 70927342
Serotonin syndrome 67.80 45.95 22 625 42092 70885705
Nystagmus 62.80 45.95 15 632 9340 70918457

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC A16AA02 ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Amino acids and derivatives
CHEBI has role CHEBI:23354 coenzymes
CHEBI has role CHEBI:23357 cofactor
CHEBI has role CHEBI:27027 trace elements
CHEBI has role CHEBI:50733 Dietary Supplement
CHEBI has role CHEBI:75772 S. cerevisiae metabolites
CHEBI has role CHEBI:77746 Homo sapiens metabolite
CHEBI has role CHEBI:131604 Mycoplasma genitalium metabolites

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

DiseaseRelationSNOMED_IDDOID
Hypertensive disorder contraindication 38341003 DOID:10763
Hyperlipidemia contraindication 55822004 DOID:1168
Diabetes mellitus contraindication 73211009 DOID:9351




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.53 acidic
pKa2 12.47 acidic
pKa3 9.91 Basic
pKa4 3.95 Basic

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
Protein arginine N-methyltransferase 1 Enzyme IC50 4.92 CHEMBL
Phenylethanolamine N-methyltransferase Enzyme Kd 5.32 CHEMBL
Protein-beta-aspartate methyltransferase Enzyme Ki 4.32 CHEMBL
S-adenosylmethionine decarboxylase proenzyme Enzyme Ki 4.22 CHEMBL
Met repressor Unclassified Kd 8.40 CHEMBL

External reference:

IDSource
4021429 VUID
N0000148840 NUI
D07128 KEGG_DRUG
4021429 VANDF
C0036002 UMLSCUI
CHEBI:15414 CHEBI
SAM PDB_CHEM_ID
CHEMBL1088977 ChEMBL_ID
DB00118 DRUGBANK_ID
C011501 MESH_SUPPLEMENTAL_RECORD_UI
4786 IUPHAR_LIGAND_ID
5479 INN_ID
7LP2MPO46S UNII
34755 PUBCHEM_CID
9504 RXNORM
27892 MMSL
d04524 MMSL
004313 NDDF
008834 NDDF
441671005 SNOMEDCT_US
441816007 SNOMEDCT_US
D012436 MESH_DESCRIPTOR_UI

Pharmaceutical products:

None