| Entry |
|
|---|
| Name |
Evacetrapib (USAN) |
|---|
| Formula |
C31H36F6N6O2
|
|---|
| Exact mass |
638.2804
|
|---|
| Mol weight |
638.65
|
|---|
| Structure |
|
|---|
| Efficacy |
Antidyslipidemia, Cholesteryl ester transfer protein inhibitor |
|---|
| Comment |
Treatment of high cholesterol and preventing cardiac events
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Other transporters
Channels and pores (TC:1)
CETP
D10121 Evacetrapib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 45
1 C8y C 17.9900 -21.4200
2 C8x C 17.9900 -22.8200
3 C8y C 16.8000 -23.5200
4 C8x C 15.5400 -22.8200
5 C8y C 15.5400 -21.4200
6 C8x C 16.8000 -20.7200
7 C1b C 19.1800 -20.7200
8 N1c N 20.3700 -21.4200
9 C8y C 20.3700 -22.8200
10 N5x N 21.4900 -23.6600
11 N4y N 21.0700 -24.9200
12 N5x N 19.7400 -24.9200
13 N5x N 19.2500 -23.6600
14 C1a C 21.9100 -26.0400
15 C1y C 21.5600 -20.7200
16 C8x C 19.5300 -17.0100
17 C8y C 18.8300 -18.2700
18 C8x C 19.5300 -19.4600
19 C8y C 21.0000 -19.4600
20 C8y C 21.7000 -18.2000
21 C8y C 20.9300 -17.0100
22 N1y N 23.1000 -17.9200
23 C1x C 24.0800 -18.9000
24 C1x C 24.0100 -20.3000
25 C1x C 22.8900 -21.0700
26 C1a C 17.4300 -18.2700
27 C1a C 21.6300 -15.7500
28 C1b C 23.5200 -16.5900
29 C1y C 24.8500 -16.2400
30 C1y C 27.3000 -14.8400
31 C1x C 27.3000 -16.2400
32 C1x C 26.1100 -16.9400
33 C1x C 24.8500 -14.8400
34 C1x C 26.1100 -14.1400
35 C6a C 28.4900 -14.1400
36 O6a O 29.6800 -14.8400
37 O6a O 28.4900 -12.7400
38 C1d C 16.8000 -24.9200
39 X F 18.2000 -24.9200
40 X F 15.4000 -24.9200
41 X F 16.8000 -26.3200
42 C1d C 14.3500 -20.7200
43 X F 13.0900 -20.0200
44 X F 13.6500 -21.9100
45 X F 15.0500 -19.5300
BOND 49
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 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 2
14 9 13 1
15 11 14 1
16 15 8 1 #Down
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 23 24 1
24 24 25 1
25 22 23 1
26 19 15 1
27 20 22 1
28 25 15 1
29 17 26 1
30 21 27 1
31 22 28 1
32 29 28 1 #Down
33 30 31 1
34 31 32 1
35 32 29 1
36 29 33 1
37 33 34 1
38 30 34 1
39 30 35 1 #Up
40 35 36 2
41 35 37 1
42 3 38 1
43 38 39 1
44 38 40 1
45 38 41 1
46 5 42 1
47 42 43 1
48 42 44 1
49 42 45 1
|
|---|
