Details of the Drug

General Information of Drug (ID: DM84AD1)

Drug Name
Arofylline
Synonyms Arofyllin; KM09088; Arofylline (USAN/INN); 3-(4-chlorophenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione; 3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 304.73
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H13ClN4O2
IUPAC Name
3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione
Canonical SMILES
CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKey
GVTLDPJNRVMCAL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
166553
CAS Number
136145-07-8
TTD ID
D0T0NG
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4 (PDE4) TTV5CGO NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.