Details of the Drug

General Information of Drug (ID: DMFYZKN)

Drug Name
Enprofylline
Synonyms
Enprofilina; Enprofyllinum; Nilyph; Oxeze; P 5679; D-4028; Enprofilina [INN-Spanish]; Enprofylline [USAN:INN]; Enprofyllinum [INN-Latin]; Enprofylline (USAN/INN); 3,7-Dihydro-3-propyl-1H-purine-2,6-dione; 3-Propyl-3,7-dihydro-purine-2,6-dione; 3-Propylxanthine; 3-n-Propylxanthine; 3-propyl-3,7-dihydro-1H-purine-2,6-dione; 3-propyl-7H-purine-2,6-dione
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Approved [1]
Therapeutic Class
Antiinflammatory Agents
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 194.19
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 4 mL/min/kg [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.8 hours [3]
Unbound Fraction
The unbound fraction of drug in plasma is 0.55% [3]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.63 L/kg [3]
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Therapeutic agent toxicity Not Available SMPDL3A OTQDYH8E [4]
Chemical Identifiers
Formula
C8H10N4O2
IUPAC Name
3-propyl-7H-purine-2,6-dione
Canonical SMILES
CCCN1C2=C(C(=O)NC1=O)NC=N2
InChI
InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
InChIKey
SIQPXVQCUCHWDI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1676
ChEBI ID
CHEMBL279898
CAS Number
41078-02-8
UNII
DT7DT5E518
DrugBank ID
DB00824
TTD ID
D09AMZ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4A (PDE4A) TTZ97H5 PDE4A_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cyclic GMP-AMP phosphodiesterase SMPDL3A (SMPDL3A) OTQDYH8E ASM3A_HUMAN Drug Response [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 4A (PDE4A) DTT PDE4A 9.26E-01 -3.01E-03 -0.01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Effects of enprofylline, a new xanthine derivate, on human pregnant myometrium. Am J Obstet Gynecol. 1987 Apr;156(4):958-62.
2 BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.