Details of the Drug

General Information of Drug (ID: DM2R15Q)

Drug Name
DENBUFYLLINE
Synonyms
denbufylline; 57076-71-8; Denbufyllinum [Latin]; Denbufilina [Spanish]; BRL 30892; BRL-30892; UNII-04B949KO6F; 1,3-Di-n-butyl-7-(2-oxopropyl)xanthine; CHEMBL277465; 7-Acetonyl-1,3-dibutylxanthine; C16H24N4O3; 04B949KO6F; 3,7-Dihydro-1,3-dibutyl-7-(2-oxopropyl)-1H-purine-2,6-dione; 1,3-Di-n-butyl-7-(2& -oxopropyl)xanthine; Denbufyllinum; Denbufilina; 1H-Purine-2,6-dione,1,3-dibutyl-3,7-dihydro-7-(2-oxopropyl)-; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(2-oxopropyl)-; Denbufylline [INN:BAN]; Denbufylline [BAN:INN
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.39
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H24N4O3
IUPAC Name
1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione
Canonical SMILES
CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C
InChI
InChI=1S/C16H24N4O3/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11H,4-10H2,1-3H3
InChIKey
HJPRDDKCXVCFOH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2984
ChEBI ID
CHEMBL277465
CAS Number
57076-71-8
TTD ID
D01XHG
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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 [2]
Phosphodiesterase 4B (PDE4B) TTVIAT9 PDE4B_HUMAN Inhibitor [2]
Phosphodiesterase 4D (PDE4D) TTSKMI8 PDE4D_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Cognitive impairment
ICD Disease Classification 6D71
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
Phosphodiesterase 4B (PDE4B) DTT PDE4B 2.75E-01 -0.13 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Denbufylline in dementia: a double-blind controlled study. Dement Geriatr Cogn Disord. 1999 Nov-Dec;10(6):505-10.
2 Pyrazolopyrimidine-2,4-dione sulfonamides: novel and selective calcitonin inducers. J Med Chem. 2002 May 23;45(11):2342-5.