| Entry |
|
|---|
| Name |
Ximelagatran (JAN/USAN/INN);
Exanta (TN) |
|---|
| Formula |
C24H35N5O5
|
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| Exact mass |
473.2638
|
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| Mol weight |
473.5652
|
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| Structure |
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| Simcomp |
|
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| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
|
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| Remark |
|
|---|
| Efficacy |
Anticoagulant, Thrombin inhibitor |
|---|
| Comment |
Active form of prodrug: Melagatran [DR: D07143]
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04610 | Complement and coagulation cascades |
|
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AE Direct thrombin inhibitors
B01AE05 Ximelagatran
D01981 Ximelagatran (JAN/USAN/INN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
D01981 Ximelagatran
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Serine peptidases
F2
D01981 Ximelagatran (JAN/USAN/INN)
Prodrugs [br08324.html]
D01981
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| Other DBs |
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| KCF data |
ATOM 34
1 C1y C 24.7956 -17.6345
2 C1x C 24.7956 -19.0338
3 C1x C 26.1950 -19.0338
4 N1y N 26.1950 -17.6345
5 C5a C 23.5837 -16.9348
6 N1b N 22.3718 -17.6345
7 C1b C 21.1599 -16.9348
8 C8y C 19.9481 -17.6345
9 O5a O 23.5837 -15.5354
10 C8x C 18.7335 -16.9332
11 C8x C 17.5216 -17.6329
12 C8y C 17.5216 -19.0323
13 C8x C 18.7362 -19.7335
14 C8x C 19.9480 -19.0338
15 C2c C 16.3096 -19.7378
16 N1b N 15.0973 -19.0379
17 O1b O 13.8850 -19.7378
18 N2a N 16.3121 -21.1376
19 C5a C 27.4127 -16.9383
20 C1c C 28.6250 -17.6381
21 N1b N 29.8372 -16.9383
22 C1b C 31.0495 -17.6381
23 O5a O 27.4157 -15.5385
24 C1y C 28.6250 -19.0379
25 C1x C 27.4141 -19.7370
26 C1x C 27.4141 -21.1368
27 C1x C 28.6263 -21.8367
28 C1x C 29.8372 -21.1376
29 C1x C 29.8372 -19.7378
30 C7a C 32.2654 -16.9383
31 O7a O 33.4777 -17.6381
32 C1b C 34.6899 -16.9383
33 O6a O 32.2663 -15.5385
34 C1a C 35.9042 -17.6393
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 1 5 1 #Up
6 5 6 1
7 6 7 1
8 7 8 1
9 5 9 2
10 8 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 8 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 15 18 2
20 4 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 19 23 2
25 20 24 1 #Down
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 24 29 1
32 22 30 1
33 30 31 1
34 31 32 1
35 30 33 2
36 32 34 1
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