| Entry |
|
|---|
| Name |
Anacetrapib (USAN)
|
|---|
| Formula |
C30H25F10NO3
|
|---|
| Exact mass |
637.1675
|
|---|
| Mol weight |
637.5084
|
|---|
| Structure |
     |
|---|
| Activity |
Treatment of atherosclerosis
|
|---|
| Target |
cholesteryl ester transfer protein (CETP) inhibitor [HSA: 1071] [KO: K16835] |
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Others
Lipid transfer proteins
cholesteryl ester transfer protein (CETP) [HSA:1071] [KO:K16835]
Anacetrapib
D08855 Anacetrapib (USAN)
 |
|---|
| Other DBs |
CAS: 875446-37-0 PubChem: LigandBox: NIKKAJI: |
|---|
| KCF data |
ATOM 44
1 C8x C 23.0300 -17.2900
2 C8y C 23.0300 -18.6900
3 C8y C 24.2424 -19.3900
4 C8x C 25.4549 -18.6900
5 C8y C 25.4549 -17.2900
6 C8y C 24.2424 -16.5900
7 C8y C 24.2424 -15.1902
8 C8x C 25.4380 -14.4997
9 C8x C 25.4378 -13.0997
10 C8y C 24.2253 -12.3999
11 C8x C 23.0298 -13.0903
12 C8y C 23.0299 -14.4903
13 C1b C 21.8178 -15.1903
14 N1y N 20.6219 -14.4999
15 C7x C 20.4747 -13.1010
16 O7x O 19.0988 -12.8087
17 C1y C 18.3956 -14.0269
18 C1y C 19.3369 -15.0722
19 C8y C 17.0205 -14.1713
20 C8x C 16.1791 -13.0132
21 C8y C 14.7868 -13.1596
22 C8x C 14.2174 -14.4386
23 C8y C 15.0588 -15.5967
24 C8x C 16.4511 -15.4503
25 C1d C 13.9583 -12.0193
26 C1d C 14.4830 -16.8901
27 X F 12.9684 -13.0092
28 X F 14.9482 -11.0294
29 X F 12.9684 -11.0294
30 X F 13.7830 -18.1025
31 X F 15.7277 -17.5242
32 X F 13.2331 -16.2533
33 O6a O 21.5008 -12.1763
34 C1a C 19.0495 -16.4236
35 C1d C 24.2252 -10.9900
36 X F 22.8252 -10.9900
37 X F 25.6252 -10.9900
38 X F 24.2252 -9.5900
39 O2a O 26.6860 -16.5790
40 C1a C 27.8912 -17.2747
41 X F 24.2424 -20.7898
42 C1c C 21.8176 -19.3900
43 C1a C 20.6221 -18.6996
44 C1a C 21.8175 -20.7898
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 6 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 14 18 1
21 17 19 1 #Up
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 21 25 1
29 23 26 1
30 25 27 1
31 25 28 1
32 25 29 1
33 26 30 1
34 26 31 1
35 26 32 1
36 15 33 2
37 18 34 1 #Up
38 10 35 1
39 35 36 1
40 35 37 1
41 35 38 1
42 5 39 1
43 39 40 1
44 3 41 1
45 2 42 1
46 42 43 1
47 42 44 1
|
|---|
