| Entry |
|
|---|
| Name |
Edoxaban tosylate (USAN) |
|---|
| Formula |
C24H30ClN7O4S. C7H8O3S
|
|---|
| Exact mass |
719.1963
|
|---|
| Mol weight |
720.2591
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Product (DG01398): | D09546<JP/US> |
|
|---|
| Efficacy |
Antithrombotic, Factor Xa inhibitor |
|---|
| Comment |
Prophylaxis of thromboembolic complications associated with atrial fibrillation, treatment and prevention of VTE
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AF Direct factor Xa inhibitors
B01AF03 Edoxaban
D11568 Edoxaban tosylate (USAN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
DG01398 Edoxaban
D11568 Edoxaban tosylate
Transporter substrate
DG01665 ABCB1 substrate
DG01398 Edoxaban
D11568 Edoxaban tosylate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Serine peptidases
F10
D11568 Edoxaban tosylate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D11568
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
DG01398 Edoxaban
Transporter substrate
DG01665 ABCB1 substrate
DG01398 Edoxaban
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 48
1 C1x C 14.6550 -15.1433
2 C1y C 14.6550 -16.5390
3 C1y C 15.9111 -17.2368
4 C1x C 17.0975 -16.5390
5 C1x C 17.0975 -15.1433
6 C1y C 15.9111 -14.4454
7 C5a C 15.9111 -13.0497
8 O5a O 14.6550 -12.3519
9 N1c N 17.0975 -12.3519
10 C1a C 18.2838 -13.0497
11 C1a C 17.0975 -10.9562
12 N1b N 15.9111 -18.7023
13 C5a C 17.0975 -19.3304
14 C5a C 18.2838 -18.7023
15 O5a O 17.0975 -20.7958
16 N1b N 19.4701 -19.3304
17 O5a O 18.2838 -17.2368
18 C8y C 20.6565 -18.7023
19 N5x N 21.8428 -19.3304
20 C8x C 23.0292 -18.6325
21 C8y C 23.0292 -17.2368
22 C8x C 21.8428 -16.5390
23 C8x C 20.6565 -17.3066
24 X Cl 24.2853 -16.5390
25 N1b N 13.4687 -17.2368
26 C5a C 12.2823 -16.6088
27 C8y C 11.0960 -17.2368
28 O5a O 12.2823 -15.1433
29 N5x N 9.8399 -16.6785
30 C8y C 8.8629 -17.7253
31 C8y C 9.5607 -18.9117
32 S2x S 10.9564 -18.6325
33 C1x C 7.4672 -17.7253
34 C1x C 6.7693 -18.9117
35 N1y N 7.4672 -20.0980
36 C1x C 8.8629 -20.0980
37 C1a C 6.7693 -21.3541
38 C8x C 27.8443 -17.1670
39 C8x C 27.8443 -18.6325
40 C8y C 29.0307 -19.3304
41 C8x C 30.2868 -18.6325
42 C8x C 30.2868 -17.1670
43 C8y C 29.0307 -16.4692
44 C1a C 29.0307 -20.7261
45 S4a S 29.0307 -15.0735
46 O1d O 30.4961 -15.0735
47 O1d O 27.6350 -15.0735
48 O1d O 29.0307 -13.6778
BOND 51
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Up
8 7 8 2
9 7 9 1
10 9 10 1
11 9 11 1
12 3 12 1 #Down
13 12 13 1
14 13 14 1
15 13 15 2
16 14 16 1
17 14 17 2
18 16 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 18 23 1
25 21 24 1
26 2 25 1 #Down
27 25 26 1
28 26 27 1
29 26 28 2
30 27 29 2
31 29 30 1
32 30 31 2
33 31 32 1
34 27 32 1
35 30 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 31 36 1
40 35 37 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 40 44 1
48 43 45 1
49 45 46 2
50 45 47 2
51 45 48 1
|
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