KEGG   DRUG: D08656Help
Entry
D08656                      Drug                                   

Name
Aleplasinin (USAN/INN)
Formula
C28H27NO3
Exact mass
425.1991
Mol weight
425.5189
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of Alzheimer's disease
Target
plasminogen activator inhibitor-1 (PAI-1) [HSA:5054] [KO:K03982]
  Pathway
hsa04115  p53 signaling pathway
hsa04610  Complement and coagulation cascades  
 
Other DBs
CAS: 
481629-87-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C    14.9331  -15.4220
            2   C8x C    14.9331  -16.8234
            3   C8x C    16.1243  -17.5241
            4   C8y C    17.3855  -16.8234
            5   C8y C    17.3855  -15.4220
            6   C8x C    16.1243  -14.7213
            7   N4y N    18.7169  -17.2438
            8   C8x C    19.5577  -16.1227
            9   C8y C    18.7169  -15.0016
            10  C8y C    13.7419  -14.7213
            11  C8x C    13.7419  -13.3199
            12  C8y C    12.4806  -12.6192
            13  C8x C    11.2895  -13.3199
            14  C8x C    11.2895  -14.7213
            15  C8x C    12.4806  -15.4220
            16  C1a C    12.4634  -11.2179
            17  C5a C    18.7169  -13.6016
            18  C6a C    19.9180  -12.9077
            19  O5a O    17.4748  -12.8848
            20  O6a O    21.1419  -13.6144
            21  O6a O    19.9173  -11.4804
            22  C1b C    18.7169  -18.6438
            23  C8y C    19.8990  -19.3259
            24  C8x C    19.8992  -20.7199
            25  C8x C    21.1118  -21.4197
            26  C8y C    22.3241  -20.7195
            27  C8x C    22.3239  -19.3255
            28  C8x C    21.1113  -18.6257
            29  C1d C    23.5413  -21.4220
            30  C1a C    24.7537  -22.1220
            31  C1a C    24.2413  -20.2095
            32  C1a C    22.8413  -22.6344
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    1  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   12  16 1
            19    9  17 1
            20   17  18 1
            21   17  19 2
            22   18  20 1
            23   18  21 2
            24    7  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1
            33   29  30 1
            34   29  31 1
            35   29  32 1

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