phloroglucinol Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
2153 108-73-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • phloroglucinol
  • phloroglucin
  • phloroglucine
  • 1,3,5-Benzenetriol
A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.
  • Molecular weight: 126.11
  • Formula: C6H6O3
  • CLOGP: 0.14
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 3
  • TPSA: 60.69
  • ALOGS: -0.55
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC A03AX12 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Other drugs for functional gastrointestinal disorders
MeSH PA D007202 Indicators and Reagents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.35 acidic
pKa2 10.35 acidic
pKa3 12.36 acidic

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
Beta-secretase 1 Enzyme IC50 4.44 CHEMBL

External reference:

IDSource
N0000166595 NUI
C0031566 UMLSCUI
D00152 KEGG_DRUG
8196 RXNORM
005931 NDDF
19341000122103 SNOMEDCT_US
DHD7FFG6YS UNII
359 PUBCHEM_CID
CHEBI:16204 CHEBI
CHEMBL473159 ChEMBL_ID
13X PDB_CHEM_ID
D010696 MESH_DESCRIPTOR_UI
DB12944 DRUGBANK_ID

Pharmaceutical products:

None