| Entry |
|
|---|
| Name |
Anacetrapib (JAN/USAN) |
|---|
| Formula |
C30H25F10NO3
|
|---|
| Exact mass |
637.1675
|
|---|
| Mol weight |
637.51
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-atherosclerotic, Cholesteryl ester transfer protein inhibitor |
|---|
| Comment |
Treatment of atherosclerosis
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Other transporters
Channels and pores (TC:1)
CETP
D08855 Anacetrapib (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 44
1 C8y C 22.3300 -35.3500
2 C8x C 22.3300 -36.7500
3 C8y C 23.5200 -37.4500
4 C8x C 24.7800 -36.7500
5 C8y C 24.7800 -35.3500
6 C8x C 23.5200 -34.6500
7 C1y C 25.9700 -34.6500
8 C1d C 23.5200 -38.8500
9 C1d C 21.1400 -34.6500
10 X F 22.1200 -38.8500
11 X F 24.9200 -38.8500
12 X F 23.5200 -40.2500
13 X F 19.8800 -33.9500
14 X F 21.8400 -33.4600
15 X F 20.4400 -35.8400
16 O7x O 27.0900 -35.4200
17 C7x C 28.2100 -34.6500
18 N1y N 27.7900 -33.3200
19 C1y C 26.3900 -33.3200
20 C1a C 25.5500 -32.2000
21 O6a O 29.5400 -35.0700
22 C1b C 28.9800 -32.6200
23 C8y C 30.1700 -33.3200
24 C8x C 30.1586 -34.7200
25 C8y C 31.3653 -35.4298
26 C8x C 32.6534 -34.7397
27 C8x C 32.5948 -33.3397
28 C8y C 31.3881 -32.6299
29 C1d C 31.3376 -36.8198
30 X F 29.9376 -36.8198
31 X F 32.7376 -36.8198
32 X F 31.3376 -38.2198
33 C8y C 31.3297 -31.2206
34 C8y C 32.5529 -30.4873
35 C8x C 32.5306 -29.0875
36 C8y C 31.3072 -28.4069
37 C8y C 30.0839 -29.1394
38 C8x C 30.1063 -30.5392
39 X F 31.2849 -27.0200
40 O2a O 33.7881 -31.1736
41 C1a C 35.0155 -30.4381
42 C1c C 28.8647 -28.4611
43 C1a C 27.6325 -29.1985
44 C1a C 28.8426 -27.0900
BOND 47
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 7 5 1 #Down
8 3 8 1
9 1 9 1
10 8 10 1
11 8 11 1
12 8 12 1
13 9 13 1
14 9 14 1
15 9 15 1
16 7 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 7 19 1
21 19 20 1 #Down
22 17 21 2
23 22 23 1
24 22 18 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 25 29 1
32 29 30 1
33 29 31 1
34 29 32 1
35 28 33 1
36 33 34 2
37 34 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 33 38 1
42 36 39 1
43 34 40 1
44 40 41 1
45 37 42 1
46 42 43 1
47 42 44 1
|
|---|
