| Entry |
|
|---|
| Name |
Metildigoxin (JP18);
Lanirapid (TN) |
|---|
| Formula |
(C42H66O14)2. C3H6O
|
|---|
| Exact mass |
1646.9324
|
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| Mol weight |
1648.0092
|
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| Structure |
|
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| Class |
|
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| Remark |
| Therapeutic category: | 2113 |
| Product (DG00191): | D02587<JP> |
|
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| Efficacy |
Cardiotonic |
|---|
| Comment |
Digitalis glycoside
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
|
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| Structure map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AA Digitalis glycosides
C01AA08 Metildigoxin
D02587 Metildigoxin (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
211 Cardiotonics
2113 Digitalis
D02587 Metildigoxin (JP18)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
DG00191 Metildigoxin
D02587 Metildigoxin
DG01653 Antiarrhythmics
DG00191 Metildigoxin
D02587 Metildigoxin
Transporter substrate
DG01665 ABCB1 substrate
DG00191 Metildigoxin
D02587 Metildigoxin
Drug classes [BR:br08332]
Cardiovascular agent
DG01653 Antiarrhythmics
D02587 Metildigoxin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D02587 Metildigoxin (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02587 Metildigoxin
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D02587
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 116
1 O5a O 50.3702 -16.2478
2 C5a C 50.3702 -17.6541
3 C1a C 49.1524 -18.3573
4 C1a C 51.5881 -18.3573
5 C1z C 41.7900 -17.6400
6 C1z C 41.7900 -16.2400
7 C1y C 40.6000 -18.3400
8 C1x C 44.2400 -17.6400
9 O1a O 41.7900 -19.0400
10 C1y C 43.0500 -15.6100
11 C1y C 40.6000 -15.5400
12 C1a C 41.7900 -14.9100
13 C1y C 39.4100 -17.6400
14 C1x C 40.6000 -19.6700
15 C1x C 44.2400 -16.3100
16 C2y C 43.0500 -14.2100
17 C1x C 39.4100 -16.2400
18 O1a O 40.6000 -14.1400
19 C1z C 38.2200 -18.3400
20 C1x C 39.4100 -20.3700
21 C1x C 42.6300 -12.8800
22 C2x C 44.3800 -14.2100
23 C1y C 38.2200 -19.6700
24 C1x C 37.0300 -17.6400
25 C1a C 38.2200 -16.9400
26 O7x O 43.7500 -12.1100
27 C7x C 44.8700 -12.8800
28 C1x C 37.0300 -20.3700
29 C1x C 35.7700 -18.3400
30 O6a O 46.1300 -12.4600
31 C1y C 35.7700 -19.6700
32 O2a O 34.5100 -20.3700
33 C1y C 33.3200 -19.6700
34 C1x C 32.1300 -20.3700
35 O2x O 33.3200 -18.3400
36 C1y C 30.9400 -19.7400
37 C1y C 32.1300 -17.6400
38 C1y C 30.9400 -18.3400
39 O1a O 29.7500 -20.3700
40 C1a C 32.1300 -16.2400
41 O2a O 29.7500 -17.6400
42 C1y C 28.4900 -18.3400
43 C1x C 27.3000 -17.6400
44 O2x O 28.4900 -19.6700
45 C1y C 26.1100 -18.3400
46 C1y C 27.3000 -20.3700
47 C1y C 26.1100 -19.6700
48 O1a O 24.9200 -17.6400
49 C1a C 27.3000 -21.7700
50 O2a O 24.9200 -20.3700
51 C1y C 23.7300 -19.6700
52 O2x O 23.7300 -18.2700
53 C1x C 22.5400 -20.3700
54 C1y C 22.4700 -17.6400
55 C1y C 21.2100 -19.6700
56 C1y C 21.2100 -18.3400
57 C1a C 22.4700 -16.2400
58 O1a O 20.0200 -20.3700
59 O2a O 20.0200 -17.6400
60 C1a C 18.8300 -18.3400
61 C1z C 41.7900 -17.6400
62 C1z C 41.7900 -16.2400
63 C1y C 43.0500 -15.6100
64 C2y C 43.0500 -14.2100
65 C1x C 42.6300 -12.8800
66 O7x O 43.7500 -12.1100
67 C7x C 44.8700 -12.8800
68 C2x C 44.3800 -14.2100
69 O6a O 46.1300 -12.4600
70 C1x C 44.2400 -16.3100
71 C1x C 44.2400 -17.6400
72 C1y C 40.6000 -15.5400
73 C1x C 39.4100 -16.2400
74 C1y C 39.4100 -17.6400
75 C1y C 40.6000 -18.3400
76 C1x C 40.6000 -19.6700
77 C1x C 39.4100 -20.3700
78 C1y C 38.2200 -19.6700
79 C1z C 38.2200 -18.3400
80 C1x C 37.0300 -17.6400
81 C1x C 35.7700 -18.3400
82 C1y C 35.7700 -19.6700
83 C1x C 37.0300 -20.3700
84 O2a O 34.5100 -20.3700
85 C1y C 33.3200 -19.6700
86 C1x C 32.1300 -20.3700
87 C1y C 30.9400 -19.7400
88 C1y C 30.9400 -18.3400
89 O2a O 29.7500 -17.6400
90 C1y C 28.4900 -18.3400
91 C1x C 27.3000 -17.6400
92 C1y C 26.1100 -18.3400
93 C1y C 26.1100 -19.6700
94 O2a O 24.9200 -20.3700
95 C1y C 23.7300 -19.6700
96 O2x O 23.7300 -18.2700
97 C1y C 22.4700 -17.6400
98 C1y C 21.2100 -18.3400
99 O2a O 20.0200 -17.6400
100 C1a C 18.8300 -18.3400
101 C1y C 21.2100 -19.6700
102 C1x C 22.5400 -20.3700
103 O1a O 20.0200 -20.3700
104 C1a C 22.4700 -16.2400
105 C1y C 27.3000 -20.3700
106 O2x O 28.4900 -19.6700
107 C1a C 27.3000 -21.7700
108 O1a O 24.9200 -17.6400
109 C1y C 32.1300 -17.6400
110 O2x O 33.3200 -18.3400
111 C1a C 32.1300 -16.2400
112 O1a O 29.7500 -20.3700
113 C1a C 38.2200 -16.9400
114 O1a O 40.6000 -14.1400
115 C1a C 41.7900 -14.9100
116 O1a O 41.7900 -19.0400
BOND 129
1 1 2 2
2 2 3 1
3 2 4 1
4 5 6 1
5 5 7 1
6 5 8 1
7 5 9 1 #Up
8 6 10 1
9 6 11 1
10 6 12 1 #Up
11 7 13 1
12 7 14 1
13 8 15 1
14 10 16 1
15 11 17 1
16 11 18 1 #Up
17 13 19 1
18 14 20 1
19 16 21 1
20 16 22 2
21 19 23 1
22 19 24 1
23 19 25 1 #Up
24 21 26 1
25 22 27 1
26 23 28 1
27 24 29 1
28 27 30 2
29 28 31 1
30 31 32 1 #Up
31 33 32 1 #Up
32 33 34 1
33 33 35 1
34 34 36 1
35 35 37 1
36 36 38 1
37 36 39 1 #Down
38 37 40 1 #Up
39 38 41 1 #Down
40 42 41 1 #Down
41 42 43 1
42 42 44 1
43 43 45 1
44 44 46 1
45 45 47 1
46 45 48 1 #Up
47 46 49 1 #Down
48 47 50 1 #Up
49 51 50 1 #Up
50 51 52 1
51 51 53 1
52 52 54 1
53 53 55 1
54 54 56 1
55 54 57 1 #Up
56 55 58 1 #Down
57 56 59 1 #Down
58 10 15 1
59 13 17 1
60 20 23 1
61 26 27 1
62 29 31 1
63 37 38 1
64 46 47 1
65 55 56 1
66 59 60 1
67 61 62 1
68 61 75 1
69 61 71 1
70 61 116 1 #Up
71 62 63 1
72 62 72 1
73 62 115 1 #Up
74 75 74 1
75 75 76 1
76 71 70 1
77 63 64 1
78 72 73 1
79 72 114 1 #Up
80 74 79 1
81 76 77 1
82 64 65 1
83 64 68 2
84 79 78 1
85 79 80 1
86 79 113 1 #Up
87 65 66 1
88 68 67 1
89 78 83 1
90 80 81 1
91 67 69 2
92 83 82 1
93 82 84 1 #Up
94 85 84 1 #Up
95 85 86 1
96 85 110 1
97 86 87 1
98 110 109 1
99 87 88 1
100 87 112 1 #Down
101 109 111 1 #Up
102 88 89 1 #Down
103 90 89 1 #Down
104 90 91 1
105 90 106 1
106 91 92 1
107 106 105 1
108 92 93 1
109 92 108 1 #Up
110 105 107 1 #Down
111 93 94 1 #Up
112 95 94 1 #Up
113 95 96 1
114 95 102 1
115 96 97 1
116 102 101 1
117 97 98 1
118 97 104 1 #Up
119 101 103 1 #Down
120 98 99 1 #Down
121 63 70 1
122 74 73 1
123 77 78 1
124 66 67 1
125 81 82 1
126 109 88 1
127 105 93 1
128 101 98 1
129 99 100 1
BRACKET 1 17.1500 -22.4700 17.1500 -11.4100
1 46.7600 -11.4100 46.7600 -22.4700
1 2
ORIGINAL 1 5 6 10 16 21 26 27 22 30 15 8 63 11 17 13 7
1 14 20 23 19 24 29 31 28 32 33 34 36 38 41 42 43
1 45 47 50 51 52 54 56 59 64 55 53 58 57 46 44 49
1 48 37 35 40 39 25 62 60 61 18 12 9
REPEAT 1 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80
1 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96
1 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112
1 113 114 115 116 117 118 119 120 121 122 123 124
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