valethamate indications/contra

Stem definitionDrug idCAS RN
2800 16376-74-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • valethamate bromide
  • valethamate
  • Molecular weight: 306.47
  • Formula: C19H32NO2
  • CLOGP: 0.98
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 26.30
  • ALOGS: -6.72
  • ROTB: 10

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC A03AX14 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Other drugs for functional gastrointestinal disorders

Drug Use (View source of the data)

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:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Muscarinic acetylcholine receptor M1 GPCR Ki 8.56 CHEMBL
Muscarinic acetylcholine receptor M4 GPCR Ki 8.44 CHEMBL
Muscarinic acetylcholine receptor M3 GPCR Ki 8.25 CHEMBL
Muscarinic acetylcholine receptor M2 GPCR Ki 7.72 CHEMBL
Muscarinic acetylcholine receptor M5 GPCR Ki 7.62 CHEMBL
Sigma non-opioid intracellular receptor 1 Membrane receptor Ki 6.70 CHEMBL
Cytochrome P450 2D6 Enzyme IC50 6.60 CHEMBL

External reference:

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IDSource
D01538 KEGG_DRUG
6XFR940M2A UNII
90-22-2 SECONDARY_CAS_RN
4814001 SNOMEDCT_US
5648 PUBCHEM_CID
CHEBI:135303 CHEBI
C004904 MESH_SUPPLEMENTAL_RECORD_UI
CHEMBL2107687 ChEMBL_ID
CHEMBL2111176 ChEMBL_ID

Pharmaceutical products:

None