| Entry |
|
|---|
| Name |
Metildigoxin (INN);
Medigoxin (BAN) |
|---|
| Formula |
C42H66O14
|
|---|
| Exact mass |
794.4453
|
|---|
| Mol weight |
794.96
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00191): | D02587<JP> |
|
|---|
| Efficacy |
Cardiotonic |
|---|
| Comment |
Digitalis glycoside
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AA Digitalis glycosides
C01AA08 Metildigoxin
D09847 Metildigoxin (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
DG00191 Metildigoxin
D09847 Metildigoxin
DG01653 Antiarrhythmics
DG00191 Metildigoxin
D09847 Metildigoxin
Transporter substrate
DG01665 ABCB1 substrate
DG00191 Metildigoxin
D09847 Metildigoxin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D09847 Metildigoxin (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D09847
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
DG00191 Metildigoxin
DG01653 Antiarrhythmics
DG00191 Metildigoxin
Transporter substrate
DG01665 ABCB1 substrate
DG00191 Metildigoxin
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 56
1 C1y C 13.8710 -21.6472
2 C1y C 13.8710 -23.0484
3 C1x C 15.0620 -23.7489
4 C1y C 16.3230 -23.0484
5 O2x O 16.3230 -21.6472
6 C1y C 15.0620 -20.9467
7 O2a O 17.5139 -23.7489
8 C1y C 18.7049 -23.0484
9 C1y C 19.8958 -23.7489
10 O2x O 21.1568 -23.0484
11 C1y C 21.1568 -21.6472
12 C1x C 19.9659 -20.9467
13 C1y C 18.7049 -21.6472
14 O2a O 22.3478 -20.9467
15 C1y C 23.5387 -21.6472
16 C1y C 23.5387 -23.0484
17 C1x C 24.7997 -23.7489
18 C1y C 25.9907 -23.0484
19 O2x O 25.9907 -21.6472
20 C1y C 24.7997 -20.9467
21 O2a O 27.1816 -23.7489
22 C1y C 28.3726 -23.0484
23 C1x C 29.5635 -23.7489
24 C1y C 30.8245 -23.0484
25 C1z C 30.8245 -21.6472
26 C1x C 29.6336 -20.9467
27 C1x C 28.3726 -21.6472
28 C1x C 32.0155 -23.7489
29 C1x C 33.2064 -23.0484
30 C1y C 33.2064 -21.6472
31 C1y C 32.0155 -20.9467
32 C1z C 34.4674 -20.9467
33 C1z C 34.4674 -19.5456
34 C1y C 33.2064 -18.8450
35 C1x C 32.0155 -19.5456
36 O1a O 12.6801 -23.7489
37 O2a O 12.6801 -20.9467
38 C1a C 11.4891 -21.6472
39 C1a C 15.0620 -19.5456
40 O1a O 17.5139 -20.9467
41 C1a C 24.7997 -19.5456
42 C1a C 30.8245 -20.2461
43 O1a O 33.2064 -17.4439
44 O1a O 34.4674 -22.3478
45 C1a C 34.4674 -18.1444
46 C1a C 19.8958 -25.1500
47 O1a O 22.3478 -23.7489
48 C1x C 36.8923 -20.9467
49 C1x C 36.8923 -19.5456
50 C1y C 35.6799 -18.8456
51 C2y C 35.6797 -17.4301
52 C2x C 36.8254 -16.5973
53 C7x C 36.3873 -15.2502
54 O7x O 34.9708 -15.2506
55 C1x C 34.5335 -16.5978
56 O6a O 37.2096 -14.1178
BOND 63
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 4 7 1 #Up
8 8 7 1 #Up
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1 #Down
16 15 14 1 #Down
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 18 21 1 #Up
24 22 21 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 24 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 25 31 1
36 30 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 31 35 1
41 2 36 1 #Down
42 1 37 1 #Down
43 37 38 1
44 6 39 1 #Up
45 13 40 1 #Up
46 20 41 1 #Up
47 25 42 1 #Up
48 34 43 1 #Up
49 32 44 1 #Up
50 33 45 1 #Up
51 9 46 1 #Down
52 16 47 1 #Down
53 32 48 1
54 48 49 1
55 49 50 1
56 33 50 1
57 50 51 1 #Up
58 51 52 2
59 52 53 1
60 53 54 1
61 54 55 1
62 51 55 1
63 53 56 2
|
|---|
