KEGG   DRUG: D08869Help
Entry
D08869                      Drug                                   

Name
Begacestat (USAN/INN)
Formula
C9H8ClF6NO3S2
Exact mass
390.9538
Mol weight
391.7381
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: 
769169-27-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        22
            1   C8y C    18.1515  -15.1169
            2   C8x C    18.6100  -16.4495
            3   C8x C    20.0192  -16.4250
            4   C8y C    20.4313  -15.0774
            5   S2x S    19.2771  -14.2689
            6   X   Cl   16.8136  -14.7074
            7   S4a S    21.6405  -14.4123
            8   N1b N    22.8523  -15.1120
            9   C1c C    24.0641  -14.4123
            10  C1c C    25.2758  -15.1120
            11  O3c O    20.7211  -13.3530
            12  O3c O    22.3401  -13.2006
            13  C1b C    24.0641  -13.0131
            14  O1a O    25.0536  -12.0237
            15  C1d C    26.4728  -14.4208
            16  C1d C    25.2759  -16.5111
            17  X   F    27.6846  -13.7212
            18  X   F    25.7630  -13.1909
            19  X   F    27.1616  -15.6144
            20  X   F    25.2759  -17.9104
            21  X   F    26.6554  -16.5110
            22  X   F    23.8569  -16.5111
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    7  11 2
            12    7  12 2
            13    9  13 1 #Down
            14   13  14 1
            15   10  15 1
            16   10  16 1
            17   15  17 1
            18   15  18 1
            19   15  19 1
            20   16  20 1
            21   16  21 1
            22   16  22 1

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