| Entry |
|
|---|
| Name |
Darapladib (JAN/USAN) |
|---|
| Formula |
C36H38F4N4O2S
|
|---|
| Exact mass |
666.2652
|
|---|
| Mol weight |
666.77
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-atherosclerotic, Lipoprotein-associated phospholipase A2 (LP-PLA2) inhibitor |
|---|
| Comment |
Treatment of atherosclerosis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Carboxylic-ester hydrolases
PLA2G7 (LP-PLA2)
D03650 Darapladib (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 47
1 C8y C 16.8000 -17.7100
2 N5x N 16.8000 -19.1100
3 C8y C 18.0124 -19.8100
4 C8y C 19.2249 -19.1100
5 C8y C 19.2249 -17.7100
6 N4y N 18.0124 -17.0100
7 C1x C 20.5564 -19.5426
8 C1x C 21.3793 -18.4100
9 C1x C 20.5564 -17.2774
10 O5x O 18.0124 -21.2098
11 C1b C 18.0124 -15.6102
12 C5a C 19.2080 -14.9198
13 N1c N 19.2082 -13.5103
14 C1b C 20.3995 -12.8224
15 O5a O 20.3951 -15.6053
16 C1b C 17.9747 -12.7978
17 C1b C 16.7685 -13.4940
18 C8y C 21.5844 -13.5065
19 N1c N 15.5867 -12.8115
20 C1b C 14.3924 -13.5009
21 C1a C 13.2047 -12.8150
22 C1b C 15.5869 -11.4102
23 C1a C 14.3918 -10.7200
24 C8x C 21.5845 -14.9098
25 C8x C 22.7969 -15.6097
26 C8y C 24.0094 -14.9097
27 C8x C 24.0093 -13.5064
28 C8x C 22.7968 -12.8065
29 C8y C 25.2224 -15.6100
30 C8x C 25.2225 -17.0098
31 C8x C 26.4349 -17.7098
32 C8y C 27.6473 -17.0098
33 C8x C 27.6473 -15.6100
34 C8x C 26.4349 -14.9100
35 C1d C 28.8619 -17.7110
36 X F 30.0582 -17.0201
37 X F 28.8620 -19.1098
38 X F 30.0575 -18.4012
39 S2a S 15.5876 -17.0100
40 C1b C 14.3921 -17.7004
41 C8y C 13.2047 -17.0149
42 C8x C 13.2046 -15.6102
43 C8x C 11.9921 -14.9103
44 C8y C 10.7797 -15.6105
45 C8x C 10.7799 -17.0152
46 C8x C 11.9924 -17.7151
47 X F 9.5672 -14.9106
BOND 51
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 3 10 2
12 6 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 12 15 2
17 13 16 1
18 16 17 1
19 14 18 1
20 17 19 1
21 19 20 1
22 20 21 1
23 19 22 1
24 22 23 1
25 18 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 18 28 1
31 26 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 29 34 1
38 32 35 1
39 35 36 1
40 35 37 1
41 35 38 1
42 1 39 1
43 39 40 1
44 40 41 1
45 41 42 2
46 42 43 1
47 43 44 2
48 44 45 1
49 45 46 2
50 41 46 1
51 44 47 1
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|---|
