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

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 1015 41078-02-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • enprofylline
  • 3-Propylxanthine
  • Molecular weight: 194.19
  • Formula: C8H10N4O2
  • CLOGP: 0.40
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 2
  • TPSA: 78.09
  • ALOGS: -1.53
  • ROTB: 2

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Hosey CM, Chan R, Benet LZ
Vd (Volume of distribution) 0.63 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 4 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.55 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.80 hours Lombardo F, Berellini G, Obach RS

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D058917 Adenosine A2 Receptor Antagonists
CHEBI has role CHEBI:35523 bronchodilator agent
CHEBI has role CHEBI:49167 anti-asthmatic drug
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug
CHEBI has role CHEBI:38070 anti-arrhythmia drug
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D001993 Bronchodilator Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D058914 Purinergic Antagonists
MeSH PA D058915 Purinergic P1 Receptor Antagonists
MeSH PA D019141 Respiratory System Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.61 acidic
pKa2 8.27 acidic
pKa3 2.65 Basic

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
Adenosine receptor A2b GPCR Ki 5.33 CHEMBL
Adenosine receptor A3 GPCR Ki 4.03 CHEMBL
Adenosine receptor A2a GPCR Ki 4.49 CHEMBL
Adenosine receptor A1 GPCR Ki 4.38 CHEMBL
cAMP-specific 3',5'-cyclic phosphodiesterase 4B Enzyme WOMBAT-PK
Adenosine receptor A1 GPCR Ki 4.49 CHEMBL
Adenosine A2a receptor Unclassified Ki 4.04 CHEMBL
Adenosine receptor A2a GPCR Ki 4.49 CHEMBL
Adenosine receptor A3 GPCR Ki 4.19 CHEMBL
Adenosine receptor A1 GPCR Ki 4.22 CHEMBL

External reference:

IDSource
D04006 KEGG_DRUG
1676 PUBCHEM_CID
CHEBI:126237 CHEBI
CHEMBL279898 ChEMBL_ID
DB00824 DRUGBANK_ID
DT7DT5E518 UNII
4878 INN_ID
C034347 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None