KEGG   DRUG: D09869Help
Entry
D09869                      Drug                                   

Name
Avagacestat (USAN)
Formula
C20H17ClF4N4O4S
Exact mass
520.0595
Mol weight
520.885
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of Alzheimer's disease
Target
gamma-secretase inhibitor [HSA:51107 5663 23385 55851] [KO:K06172 K04505 K06171 K06170]
  Pathway
hsa04330  Notch signaling pathway
hsa04722  Neurotrophin signaling pathway
hsa05010  Alzheimer's disease  
 
Structure map
Agents for Alzheimer-type dementia
Other DBs
CAS: 
1146699-66-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        34
            1   C8x C    14.9100  -20.3000
            2   C8y C    14.9100  -21.7000
            3   C8x C    16.1000  -22.4000
            4   C8x C    17.3600  -21.7000
            5   C8y C    17.3600  -20.3000
            6   C8y C    16.1000  -19.6000
            7   C1b C    18.5500  -19.6000
            8   N1c N    19.7400  -20.3000
            9   C1c C    20.9300  -19.6000
            10  C1b C    22.1200  -20.3000
            11  C1b C    23.3100  -19.6000
            12  S4a S    19.7400  -21.7000
            13  C8y C    19.7400  -23.1000
            14  O3c O    21.1400  -21.7000
            15  C1d C    24.5000  -20.3000
            16  C5a C    20.9300  -18.2000
            17  N1a N    19.7400  -17.5000
            18  O5a O    22.1200  -17.5000
            19  X   F    25.6900  -19.6000
            20  X   F    24.5000  -21.7000
            21  X   F    25.7600  -21.0000
            22  O3c O    18.3400  -21.7000
            23  X   F    16.1000  -18.2000
            24  C8y C    13.7200  -22.4000
            25  C8x C    11.9000  -23.7300
            26  N5x N    13.3000  -23.7300
            27  N5x N    12.6000  -21.5600
            28  O2x O    11.4800  -22.4000
            29  C8x C    18.5276  -23.8000
            30  C8x C    18.5276  -25.2000
            31  C8y C    19.7400  -25.9000
            32  C8x C    20.9524  -25.2000
            33  C8x C    20.9524  -23.8000
            34  X   Cl   19.7400  -27.3000
BOND        36
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1 #Up
            11   10  11 1
            12    8  12 1
            13   12  13 1
            14   12  14 2
            15   11  15 1
            16    9  16 1
            17   16  17 1
            18   16  18 2
            19   15  19 1
            20   15  20 1
            21   15  21 1
            22   12  22 2
            23    6  23 1
            24    2  24 1
            25   25  26 2
            26   26  24 1
            27   24  27 2
            28   27  28 1
            29   25  28 1
            30   13  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   13  33 2
            36   31  34 1

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