| Entry |
|
|---|
| Name |
Edoxaban tosylate (USAN) |
|---|
| Formula |
C24H30ClN7O4S. C7H8O3S
|
|---|
| Exact mass |
719.1963
|
|---|
| Mol weight |
720.26
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
DG03320 Direct oral anticoagulant (DOAC)
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
DG03320 Direct oral anticoagulant (DOAC)
DG01398 Edoxaban
D11568 Edoxaban tosylate
Transporter substrate
DG01665 ABCB1 substrate
DG01398 Edoxaban
D11568 Edoxaban tosylate
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
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
DG03320 Direct oral anticoagulant (DOAC)
DG01398 Edoxaban
Transporter substrate
DG01665 ABCB1 substrate
DG01398 Edoxaban
|
|---|
| Other DBs |
|
|---|
| 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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