Entry |
|
Name |
Lapaquistat acetate (JAN/USAN) |
Formula |
C33H41ClN2O9
|
Exact mass |
644.2501
|
Mol weight |
645.1396
|
Structure |
|
Efficacy |
Antihyperlipidemic, Cholesterol-lowering agent, Squalene synthetase inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Alkyl/Aryl transferases
FDFT1
D06609 Lapaquistat acetate (JAN/USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 45
1 C5x C 31.5634 -17.2994
2 C1y C 30.7213 -16.1898
3 O2x O 31.0565 -14.8330
4 C1y C 32.3175 -14.2549
5 N1y N 32.9692 -17.3246
6 C8y C 33.5711 -14.8772
7 C8y C 33.8576 -16.2459
8 C8x C 35.1888 -16.6830
9 C8x C 36.2330 -15.7486
10 C8y C 35.9466 -14.3799
11 C8x C 34.6152 -13.9428
12 X Cl 37.0233 -13.4165
13 O5x O 30.8417 -18.4990
14 C1b C 33.6473 -18.8294
15 C1d C 35.0698 -18.8549
16 C1b C 36.4698 -18.8549
17 C1a C 35.0574 -20.2299
18 C1a C 35.0826 -17.4301
19 C1a C 39.1943 -18.7857
20 O7a O 37.1901 -20.0306
21 C7a C 38.5698 -19.9944
22 O6a O 39.3130 -21.2066
23 C1b C 29.5176 -16.8700
24 C5a C 28.3051 -16.1700
25 N1y N 27.0927 -16.8700
26 O5a O 28.3051 -14.7702
27 C1x C 25.8782 -16.1688
28 C1x C 24.6658 -16.8688
29 C1y C 24.6658 -18.2688
30 C1x C 25.8803 -18.9700
31 C1x C 27.0927 -18.2700
32 C1b C 23.4337 -18.9804
33 C6a C 22.2290 -18.2850
34 O6a O 21.0464 -18.9680
35 O6a O 22.2286 -16.8704
36 C8y C 32.3392 -12.8800
37 C8x C 33.6331 -12.1988
38 C8x C 33.5852 -10.7990
39 C8x C 32.3839 -10.0800
40 C8y C 31.1599 -10.7612
41 C8y C 31.1379 -12.1610
42 O2a O 29.9598 -10.0428
43 C1a C 28.7507 -10.7154
44 O2a O 29.9159 -12.8411
45 C1a C 28.6817 -12.1028
BOND 48
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 6 11 2
13 10 12 1
14 1 13 2
15 5 14 1
16 14 15 1
17 15 16 1
18 15 17 1
19 15 18 1
20 16 20 1
21 20 21 1
22 21 22 2
23 21 19 1
24 2 23 1 #Up
25 23 24 1
26 24 25 1
27 24 26 2
28 25 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 25 31 1
34 29 32 1
35 32 33 1
36 33 34 1
37 33 35 2
38 4 36 1 #Down
39 36 37 2
40 37 38 1
41 38 39 2
42 39 40 1
43 40 41 2
44 36 41 1
45 40 42 1
46 42 43 1
47 41 44 1
48 44 45 1
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