KEGG   DRUG: Propentofylline
Entry
D01630                      Drug                                   
Name
Propentofylline (JAN/INN)
Formula
C15H22N4O3
Exact mass
306.1692
Mol weight
306.3602
Structure
Simcomp
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01612  Xanthine-type central nervous system stimulant
Remark
ATC code: N06BC02
Efficacy
Dementia therapeutic agent, Neuroprotectant, Phosphodiesterase inhibitor
Comment
Xanthine derivative
Treatment of Alzheimer's disease and multi-infarct dementia
Target
PDE4 [HSA:5141 5142 5143 5144] [KO:K13293]
  Pathway
hsa04024  cAMP signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BC Xanthine derivatives
     N06BC02 Propentofylline
      D01630  Propentofylline (JAN/INN)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01612  Xanthine-type central nervous system stimulant
    D01630  Propentofylline
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE4
     D01630  Propentofylline (JAN/INN)
Other DBs
CAS: 55242-55-2
PubChem: 7848693
ChEBI: 32061
PDB-CCD: POY[PDBj]
LigandBox: D01630
NIKKAJI: J22.661K
KCF data

ATOM        22
            1   N4y N    31.5076  -16.6849
            2   C8y C    31.5076  -18.0885
            3   N4y N    30.2891  -18.7903
            4   C8y C    30.2891  -15.9831
            5   C8y C    29.0778  -16.6849
            6   C8y C    29.0160  -18.0844
            7   N5x N    27.7574  -18.5249
            8   C8x C    26.9284  -17.3974
            9   N4y N    27.7443  -16.2603
            10  O5x O    30.2874  -14.5796
            11  O5x O    32.7229  -18.7909
            12  C1a C    30.2835  -20.1939
            13  C1b C    32.7198  -15.9831
            14  C1b C    33.9320  -16.6777
            15  C1b C    35.1442  -15.9759
            16  C1b C    36.3563  -16.6708
            17  C5a C    37.5686  -15.9690
            18  C1a C    38.7808  -16.6636
            19  O5a O    37.5655  -14.5655
            20  C1b C    27.7443  -14.8591
            21  C1b C    26.5274  -14.1566
            22  C1a C    25.3346  -14.8454
BOND        23
            1     2  11 2
            2     1   2 1
            3     3  12 1
            4     2   3 1
            5     3   6 1
            6     5   4 1
            7     5   6 2
            8     1  13 1
            9     6   7 1
            10   13  14 1
            11    7   8 2
            12   14  15 1
            13    8   9 1
            14   15  16 1
            15    9   5 1
            16   16  17 1
            17    4   1 1
            18   17  18 1
            19    4  10 2
            20   17  19 2
            21    9  20 1
            22   20  21 1
            23   21  22 1

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  All links  
Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (5)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (4)   
All databases (14)   

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