| Entry |
|
|---|
| Name |
Dabigatran (USAN/INN) |
|---|
| Formula |
C25H25N7O3
|
|---|
| Exact mass |
471.2019
|
|---|
| Mol weight |
471.51
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
DG03320 Direct oral anticoagulant (DOAC)
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Product (DG00164): | D07082<JP/US> |
|
|---|
| Efficacy |
Anticoagulant, Thrombin inhibitor |
|---|
| Comment |
Deep vein thrombosis after surgery, venous thromboembolic events, stroke prevention in atrial fibrillation
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
DG00164 Dabigatran
D09707 Dabigatran
DG03320 Direct oral anticoagulant (DOAC)
DG00164 Dabigatran
D09707 Dabigatran
Transporter substrate
DG01665 ABCB1 substrate
DG00164 Dabigatran
D09707 Dabigatran
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
F2
D09707 Dabigatran (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D09707
Prodrugs [br08324.html]
D09707
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
DG00164 Dabigatran
DG03320 Direct oral anticoagulant (DOAC)
DG00164 Dabigatran
Transporter substrate
DG01665 ABCB1 substrate
DG00164 Dabigatran
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 O6a O 32.5500 -25.9000
2 C6a C 31.3600 -25.2000
3 C1b C 30.1700 -25.9000
4 C1b C 28.9800 -25.2000
5 N1c N 27.7900 -25.9000
6 C5a C 26.6000 -25.2000
7 C8y C 25.4100 -25.9000
8 O5a O 26.6000 -23.8000
9 C8x C 24.1500 -25.2000
10 C8y C 22.9600 -25.9000
11 C8y C 22.9600 -27.3000
12 C8x C 24.1500 -28.0000
13 C8x C 25.4100 -27.3000
14 O6a O 31.3600 -23.8000
15 N5x N 21.6300 -25.4800
16 C8y C 20.7900 -26.6000
17 N4y N 21.6300 -27.7900
18 C1a C 21.2100 -29.1200
19 C1b C 19.4600 -26.6000
20 N1b N 18.6900 -27.8600
21 C8y C 17.2900 -27.8600
22 C8x C 16.5900 -26.6000
23 C8x C 15.1900 -26.6000
24 C8y C 14.4900 -27.7900
25 C8x C 15.1900 -29.0500
26 C8x C 16.5900 -29.0500
27 C2c C 13.0900 -27.7900
28 N1a N 12.3900 -29.0500
29 N2a N 12.3900 -26.6000
30 C8y C 27.7900 -27.3000
31 N5x N 26.6000 -28.0000
32 C8x C 26.6000 -29.4000
33 C8x C 27.7900 -30.1000
34 C8x C 28.9800 -29.4000
35 C8x C 28.9800 -28.0000
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 6 8 2
8 7 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 7 13 1
14 2 14 2
15 10 15 1
16 15 16 2
17 16 17 1
18 11 17 1
19 17 18 1
20 16 19 1
21 19 20 1
22 20 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 24 27 1
30 27 28 1
31 27 29 2
32 5 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 33 34 1
37 34 35 2
38 30 35 1
|
|---|