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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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]
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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: CHEBI:126237
CAS Number: 41078-02-8
UNII: DT7DT5E518
DrugBank ID: DB00824
TTD ID: D09AMZ

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cyclic GMP-AMP phosphodiesterase SMPDL3A (SMPDL3A)	OTQDYH8E	ASM3A_HUMAN	Drug Response	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.