| Entry |
|
|---|
| Name |
Milvexian (USAN) |
|---|
| Formula |
C28H23Cl2F2N9O2
|
|---|
| Exact mass |
625.1320
|
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| Mol weight |
626.44
|
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| Structure |
|
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| Efficacy |
Antithrombotic, Factor XIa inhibitor |
|---|
| Comment |
Prevention and treatment of thromboembolic disorders
|
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| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
F11a
D11802 Milvexian (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 43
1 C8y C 19.5300 -12.4600
2 C8x C 19.5300 -13.8600
3 N1x N 21.9549 -13.8600
4 C8y C 21.9549 -12.4600
5 C8y C 20.7424 -11.7600
6 C8y C 18.3176 -14.5600
7 C1y C 18.3176 -15.9600
8 C1x C 19.5300 -16.6600
9 C1x C 20.7424 -15.9600
10 C1x C 21.9549 -16.6600
11 C1y C 23.1673 -15.9600
12 C5x C 23.1673 -14.5600
13 C8x C 22.9953 -11.5232
14 N5x N 22.4259 -10.2442
15 N4y N 21.0335 -10.3906
16 C1c C 20.0666 -9.3165
17 C8x C 18.3176 -11.7600
18 C8x C 17.1051 -12.4600
19 N5x N 17.1051 -13.8600
20 O5x O 24.3818 -13.8588
21 C1a C 24.3818 -16.6612
22 N4y N 17.1221 -16.6504
23 C8y C 15.9347 -15.9649
24 C8x C 14.7223 -16.6650
25 C8y C 14.7224 -18.0650
26 N5x N 15.9097 -18.7504
27 C8x C 17.1221 -18.0504
28 O5x O 15.9346 -14.5602
29 C8y C 13.4955 -18.7736
30 C8y C 12.2881 -18.0766
31 C8x C 11.0757 -18.7768
32 C8x C 11.0759 -20.1768
33 C8y C 12.2833 -20.8737
34 C8x C 13.4956 -20.1736
35 X Cl 12.2831 -22.2596
36 N4y N 12.2876 -16.6604
37 C8x C 13.4410 -15.8213
38 C8y C 12.9994 -14.4651
39 N5x N 11.5731 -14.4659
40 N5x N 11.1332 -15.8227
41 X Cl 13.8168 -13.3389
42 X F 18.7209 -9.6024
43 X F 20.5033 -7.9724
BOND 48
1 1 2 2
2 3 4 1
3 4 5 2
4 1 5 1
5 2 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 3 12 1
13 4 13 1
14 13 14 2
15 14 15 1
16 5 15 1
17 15 16 1
18 1 17 1
19 17 18 2
20 18 19 1
21 6 19 2
22 12 20 2
23 11 21 1 #Down
24 7 22 1 #Down
25 22 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 23 28 2
32 25 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 33 35 1
40 30 36 1
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 36 40 1
46 38 41 1
47 16 42 1
48 16 43 1
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