bufuralol indications/contra

Stem definitionDrug idCAS RN
aromatic ring -CH(-OH)-CH2-NH-R 424 54340-62-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bufuralol
  • dl-Bufuralol
  • (+/-)-Bufuralol
  • Molecular weight: 261.37
  • Formula: C16H23NO2
  • CLOGP: 3.40
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 2
  • TPSA: 45.40
  • ALOGS: -3.87
  • ROTB: 5

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

scroll-->
SourceCodeDescription
MeSH PA D018663 Adrenergic Agents
MeSH PA D018674 Adrenergic Antagonists
MeSH PA D000319 Adrenergic beta-Antagonists
MeSH PA D018377 Neurotransmitter Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

scroll-->
Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.89 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

scroll-->
TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Cytochrome P450 2D6 Enzyme Ks 4.59 WOMBAT-PK
Beta-2 adrenergic receptor GPCR Ki 8.80 WOMBAT-PK
Beta-1 adrenergic receptor GPCR Ki 8.20 WOMBAT-PK
Multidrug resistance protein 1 Transporter WOMBAT-PK

External reference:

scroll-->
IDSource
CHEMBL296035 ChEMBL_ID
71733 PUBCHEM_CID
891H89GFT4 UNII
3539 INN_ID
CHEBI:34593 CHEBI
C010831 MESH_SUPPLEMENTAL_RECORD_UI
DB06726 DRUGBANK_ID

Pharmaceutical products:

None