Entry |
|
Name |
Vinepidine sulfate (USAN) |
Formula |
C46H56N4O9. H2SO4
|
Exact mass |
906.3721
|
Mol weight |
907.04
|
Structure |
![](/Fig/drug/D06305.gif)
|
Simcomp |
|
Class |
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
|
Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
Comment |
Vinca alkaloid
Vincristine derivarive
|
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
D06305 Vinepidine sulfate
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D06305 Vinepidine sulfate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 S4a S 34.4820 -13.4100
2 O1d O 34.4820 -12.0100
3 O1d O 34.4820 -14.8100
4 O1d O 33.0819 -13.4100
5 O1d O 35.8819 -13.4100
6 C1z C 29.6069 -19.3691
7 C1y C 30.7375 -18.7024
8 C1y C 29.6127 -20.6739
9 C8y C 27.3571 -19.3691
10 C1x C 28.7720 -18.2907
11 C1z C 31.8800 -19.3634
12 N1y N 30.7259 -17.3803
13 C1z C 30.7491 -21.3233
14 N1y N 28.4762 -21.3233
15 C8y C 27.3571 -20.6739
16 C8x C 26.2205 -18.7197
17 C1x C 29.4330 -17.3750
18 C1y C 31.8216 -20.6797
19 C2x C 33.0107 -18.6908
20 C1b C 32.9759 -19.9955
21 C1x C 31.8741 -16.7193
22 C7a C 31.6422 -22.5021
23 O1a O 30.2563 -23.2253
24 C4a C 28.4626 -22.6991
25 C8x C 26.2205 -21.3292
26 C8y C 25.1130 -19.3634
27 O7a O 35.2332 -21.5276
28 C2x C 33.0164 -17.3687
29 C1a C 34.0891 -19.3577
30 O7a O 31.6314 -23.7720
31 C8y C 25.1130 -20.6739
32 C1z C 22.6881 -17.1939
33 O2a O 23.9997 -21.3117
34 C8y C 21.5633 -16.4343
35 C1x C 23.9521 -16.4576
36 C7a C 22.3286 -18.4929
37 C1a C 22.8865 -20.6622
38 C8y C 21.5633 -15.0891
39 N4x N 20.4383 -17.1070
40 C1y C 23.9521 -15.1703
41 O7a O 20.8907 -18.9510
42 O6a O 23.1577 -19.5251
43 C8y C 19.2496 -15.0891
44 C1x C 20.8384 -13.9873
45 C8y C 19.2496 -16.4343
46 C1x C 22.8157 -14.5557
47 C1x C 25.0360 -14.3527
48 C1a C 20.0208 -20.3716
49 C8x C 18.1073 -14.4224
50 C1x C 21.6095 -13.0016
51 C8x C 18.1073 -17.1070
52 N1y N 22.8157 -13.3147
53 C1y C 25.0771 -13.2105
54 C8x C 17.0288 -15.0891
55 C8x C 17.0288 -16.4343
56 C1x C 23.9464 -12.5610
57 O6a O 32.9476 -21.9698
58 C7a C 36.4224 -20.8600
59 C1a C 37.6349 -21.5600
60 O6a O 36.4309 -19.4603
61 C1a C 32.8438 -24.4720
62 O4a O 27.2722 -23.3707
63 C1b C 26.2799 -12.5431
64 C1a C 27.4525 -13.2470
BOND 71
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 6 7 1
6 6 8 1
7 6 9 1
8 6 10 1 #Up
9 7 11 1
10 7 12 1
11 8 13 1
12 8 14 1
13 9 15 2
14 9 16 1
15 10 17 1
16 11 18 1
17 11 19 1
18 11 20 1 #Down
19 12 21 1
20 13 22 1 #Down
21 13 23 1 #Up
22 14 24 1
23 15 25 1
24 16 26 2
25 18 27 1 #Up
26 19 28 2
27 20 29 1
28 22 30 1
29 25 31 2
30 32 26 1 #Down
31 31 33 1
32 32 34 1
33 32 35 1
34 32 36 1 #Up
35 33 37 1
36 34 38 2
37 34 39 1
38 35 40 1
39 36 41 1
40 36 42 2
41 38 43 1
42 38 44 1
43 39 45 1
44 40 46 1 #Down
45 40 47 1
46 41 48 1
47 43 49 1
48 44 50 1
49 45 51 1
50 52 46 1 #Down
51 47 53 1
52 49 54 2
53 51 55 2
54 52 56 1
55 12 17 1
56 13 18 1
57 14 15 1
58 21 28 1
59 26 31 1
60 43 45 2
61 50 52 1
62 53 56 1
63 54 55 1
64 22 57 2
65 27 58 1
66 58 59 1
67 58 60 2
68 30 61 1
69 24 62 2
70 53 63 1 #Up
71 63 64 1
|