alexidine indications/contra

Stem definitionDrug idCAS RN
113 22573-93-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • alexidine
  • bisguadine
  • bisguanidine
  • alexidine dihydrochloride
until June 1975 was mistakenly treated as synonym for chlorhexidine; RN given refers to parent cpd
  • Molecular weight: 508.80
  • Formula: C26H56N10
  • CLOGP: 6.15
  • LIPINSKI: 3
  • HAC: 10
  • HDO: 10
  • TPSA: 167.58
  • ALOGS: -4.27
  • ROTB: 19

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

None

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.68 Basic
pKa2 11.08 Basic
pKa3 2.68 Basic
pKa4 2.08 Basic

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
Toll-like receptor 9 Membrane receptor IC50 5.21 CHEMBL

External reference:

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IDSource
D02804 KEGG_DRUG
2090 PUBCHEM_CID
CHEMBL554041 ChEMBL_ID
CHEMBL1195210 ChEMBL_ID
CHEMBL1487183 ChEMBL_ID
C001570 MESH_SUPPLEMENTAL_RECORD_UI
GVN71CAL3G UNII
2632 INN_ID
1715-30-6 SECONDARY_CAS_RN
CHEBI:53661 CHEBI

Pharmaceutical products:

None