acefylline indications/contra

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 49 652-37-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • epicophylline
  • acefylline piperazine
  • acefylline piperazine salt
  • acepifylline
  • aethaphyllinum
  • piperazine theophylline ethanoate
  • acephylline
  • acefylline
  • carboxymethyltheophylline
  • theophyllineacetic acid
  • Molecular weight: 238.20
  • Formula: C9H10N4O4
  • CLOGP: -0.66
  • LIPINSKI: 0
  • HAC: 8
  • HDO: 1
  • TPSA: 95.74
  • ALOGS: -1.21
  • ROTB: 2

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC R03DA09 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Bronchitis indication 32398004 DOID:6132
Disorder of cardiovascular system indication 49601007 DOID:1287
Asthma indication 195967001 DOID:2841

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.76 acidic
pKa2 1.86 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
Adenosine receptor A2b GPCR Ki 4.56 CHEMBL

External reference:

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IDSource
12I91IOS6Z UNII
1583 INN_ID
18833-13-1 SECONDARY_CAS_RN
CHEMBL70246 ChEMBL_ID
69550 PUBCHEM_CID
005935 NDDF
C019140 MESH_SUPPLEMENTAL_RECORD_UI
D07062 KEGG_DRUG
CHEMBL2106660 ChEMBL_ID

Pharmaceutical products:

None