| Entry |
|
|---|
| Name |
Frunexian (USAN) |
|---|
| Formula |
C19H26N4O4
|
|---|
| Exact mass |
374.1954
|
|---|
| Mol weight |
374.43
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antithrombotic, Factor XIa inhibitor |
|---|
| Comment |
Prevention of thromboembolism without causing bleeding; inhibitor of coagulation factor XIa
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
F11a
D12563 Frunexian (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C6a C 17.0100 -15.0500
2 O6a O 18.2224 -15.7500
3 O6a O 15.7976 -15.7500
4 C1y C 17.0100 -13.6500
5 C1y C 17.9999 -12.6601
6 C5x C 17.0100 -11.6701
7 N1y N 16.0201 -12.6601
8 O5x O 17.0100 -10.2900
9 C5a C 14.6300 -12.6601
10 C1b C 19.3900 -12.6601
11 O5a O 13.9342 -11.4551
12 N1b N 13.9258 -13.8800
13 C1c C 12.5301 -13.8800
14 C1y C 11.8387 -15.0774
15 C1a C 11.8214 -12.6526
16 C1x C 10.4303 -15.0774
17 C1x C 9.7303 -16.2899
18 C1x C 10.4303 -17.5023
19 C1x C 11.8387 -17.5023
20 C1x C 12.5387 -16.2898
21 C8y C 20.0858 -11.4551
22 C8x C 21.4898 -11.4552
23 C8y C 22.1898 -10.2427
24 N5x N 21.4898 -9.0303
25 C8x C 20.0858 -9.0303
26 C8x C 19.3858 -10.2427
27 N1a N 23.5898 -10.2428
BOND 29
1 1 2 1
2 1 3 2
3 4 1 1 #Up
4 4 5 1
5 5 6 1
6 6 7 1
7 4 7 1
8 6 8 2
9 7 9 1
10 5 10 1 #Down
11 9 11 2
12 9 12 1
13 12 13 1
14 13 14 1
15 13 15 1 #Up
16 14 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 14 20 1
22 10 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 23 27 1
|
|---|
