| Entry |
|
|---|
| Name |
Obicetrapib (USAN/INN) |
|---|
| Formula |
C32H31F9N4O5
|
|---|
| Exact mass |
722.2151
|
|---|
| Mol weight |
722.60
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidyslipidemia, Cholesteryl ester transfer protein inhibitor |
|---|
| Comment |
Treatment of dyslipidemia
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Other transporters
Channels and pores (TC:1)
CETP
D12900 Obicetrapib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 50
1 C8y C 13.7646 -14.2586
2 C8x C 13.7646 -15.6628
3 C8y C 14.9582 -16.3648
4 C8x C 16.1517 -15.6628
5 C8y C 16.1517 -14.2586
6 C8x C 14.9582 -13.5565
7 C1d C 12.5009 -13.5565
8 C1b C 17.4155 -13.5565
9 C1d C 14.9582 -17.7690
10 N1c N 18.6090 -14.2586
11 C1y C 19.8026 -13.5565
12 X F 16.3623 -17.7690
13 X F 13.5540 -17.7690
14 X F 14.9582 -19.1732
15 X F 11.3073 -12.8544
16 X F 13.2030 -12.2928
17 X F 11.7988 -14.7500
18 C8y C 20.9961 -14.2586
19 C8y C 22.1897 -13.5565
20 N1y N 22.1897 -12.1523
21 C1y C 20.9961 -11.4502
22 C1x C 19.8026 -12.1523
23 C8x C 20.9961 -15.6628
24 C8y C 22.1897 -16.3648
25 C8x C 23.4534 -15.6628
26 C8x C 23.4534 -14.2586
27 C1d C 22.1897 -17.7690
28 X F 20.7855 -17.7690
29 X F 23.6640 -17.7690
30 X F 22.1897 -19.1732
31 C7a C 23.4534 -11.3800
32 O6a O 24.6470 -12.0821
33 O7a O 23.4534 -10.0461
34 C1b C 24.6470 -9.3440
35 C1a C 25.8405 -10.0461
36 C1b C 20.9961 -10.0461
37 C1a C 19.8026 -9.3440
38 C8y C 18.6090 -15.6628
39 N5x N 19.8026 -16.3648
40 C8x C 19.8026 -17.7690
41 C8y C 18.6090 -18.4711
42 C8x C 17.4155 -17.7690
43 N5x N 17.4155 -16.3648
44 O2a O 18.6090 -19.8753
45 C1b C 19.8026 -20.5774
46 C1b C 20.9961 -19.8753
47 C1b C 22.1897 -20.5774
48 C6a C 22.1897 -21.9815
49 O6a O 23.3832 -22.6836
50 O6a O 20.9961 -22.6836
BOND 53
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 2
42 39 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 38 43 1
47 41 44 1
48 44 45 1
49 45 46 1
50 46 47 1
51 47 48 1
52 48 49 1
53 48 50 2
|
|---|
