ademetionine 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: -5.08
  • 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 ┬ÁM/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 97.56 47.22 13 430 309 53348314
Serotonin syndrome 70.93 47.22 20 423 26386 53322237
Nystagmus 59.50 47.22 13 430 6023 53342600
Right aortic arch 57.25 47.22 8 435 271 53348352
Congenital arterial malformation 55.06 47.22 8 435 359 53348264
Rhabdomyolysis 52.90 47.22 18 425 43905 53304718

FDA Adverse Event Reporting System (Male)

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

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 Nutritional supplement
CHEBI has role CHEBI:75772 bakers yeast metabolite
CHEBI has role CHEBI:77746 H. sapiens metabolites
CHEBI has role CHEBI:131604 Mycoplasma genitalium metabolites

Drug Use (View source of the data)

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

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