Entry |
|
Name |
Torcetrapib (USAN/INN) |
Formula |
C26H25F9N2O4
|
Exact mass |
600.1671
|
Mol weight |
600.4733
|
Structure |
|
Efficacy |
Anti-atherosclerotic, Cholesteryl ester transfer protein inhibitor |
Comment |
Treatment of atherosclerosis, Heart disease
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Other transporters
Channels and pores (TC:1)
CETP
D06195 Torcetrapib (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 41
1 C8y C 23.3800 -30.7300
2 C8x C 23.3800 -32.1300
3 C8y C 24.5924 -32.8300
4 C8x C 25.8049 -32.1300
5 C8y C 25.8049 -30.7300
6 C8x C 24.5924 -30.0300
7 C1d C 22.1676 -30.0300
8 C1b C 27.0360 -30.0190
9 C1d C 24.5924 -34.2298
10 N1c N 28.2412 -30.7147
11 C1y C 29.4235 -30.0319
12 X F 25.9924 -34.2298
13 X F 23.1924 -34.2298
14 X F 24.5924 -35.6298
15 X F 20.9551 -29.3300
16 X F 22.8676 -28.8176
17 X F 21.4676 -31.2424
18 C8y C 30.6175 -30.7212
19 C8y C 31.8299 -30.0212
20 N1y N 31.8299 -28.6212
21 C1y C 30.6360 -27.9319
22 C1x C 29.4235 -28.6319
23 C8x C 30.6175 -32.1212
24 C8y C 31.8299 -32.8212
25 C8x C 33.0423 -32.1212
26 C8x C 33.0423 -30.7212
27 C1d C 31.8298 -34.2299
28 X F 30.4298 -34.2299
29 X F 33.2298 -34.2299
30 X F 31.8298 -35.6299
31 C7a C 33.0534 -27.9146
32 O6a O 34.2624 -28.6125
33 O7a O 33.0532 -26.5301
34 C1b C 34.2556 -25.8355
35 C1a C 35.4465 -26.5229
36 C1b C 30.6359 -26.5302
37 C1a C 29.4416 -25.8405
38 C7a C 28.2416 -32.1296
39 O7a O 29.4305 -32.8159
40 O6a O 27.0057 -32.8439
41 C1a C 29.4305 -34.2159
BOND 43
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 1 7 1
8 5 8 1
9 3 9 1
10 8 10 1
11 11 10 1 #Up
12 9 12 1
13 9 13 1
14 9 14 1
15 7 15 1
16 7 16 1
17 7 17 1
18 11 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 11 22 1
24 18 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 19 26 2
29 24 27 1
30 27 28 1
31 27 29 1
32 27 30 1
33 20 31 1
34 31 32 2
35 31 33 1
36 33 34 1
37 34 35 1
38 21 36 1 #Up
39 36 37 1
40 10 38 1
41 38 39 1
42 38 40 2
43 39 41 1
|