Entry |
|
Name |
Vincristine (INN); Tecnocris (TN) |
Formula |
C46H56N4O10
|
Exact mass |
824.3996
|
Mol weight |
824.9576
|
Structure |
|
Simcomp |
|
Source |
Catharanthus roseus (Vinca rosea) [TAX: 4058]
|
Class |
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
Remark |
Product (DG00690): | D02197<JP/US> |
|
Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
Comment |
Vinca alkaloid from Catharanthus roseus (Madagascar periwinkle)
|
Target |
|
Pathway |
|
Metabolism |
|
Interaction |
|
Structure map |
map07042 | Antineoplastics - agents from natural products |
|
Other map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CA Vinca alkaloids and analogues
L01CA02 Vincristine
D08679 Vincristine (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
DG00690 Vincristine
D08679 Vincristine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00690 Vincristine
D08679 Vincristine
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D08679 Vincristine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08679
Drug groups [BR:br08330]
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
DG00690 Vincristine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00690 Vincristine
|
Other DBs |
|
KCF data |
ATOM 60
1 C1z C 27.1600 -19.2500
2 C1y C 28.2800 -18.5500
3 C1y C 27.1600 -20.5100
4 C8y C 24.9200 -19.2500
5 C1x C 26.3200 -18.1300
6 C1z C 29.4000 -19.2500
7 N1y N 28.2800 -17.2200
8 C1z C 28.2800 -21.2100
9 N1y N 26.0400 -21.2100
10 C8y C 24.9200 -20.5100
11 C8x C 23.8000 -18.5500
12 C1x C 26.9500 -17.2200
13 C1y C 29.4000 -20.5100
14 C2x C 30.5900 -18.5500
15 C1b C 30.5200 -19.8800
16 C1x C 29.4000 -16.5900
17 C7a C 29.1900 -22.3300
18 O1a O 27.7900 -23.1000
19 C4a C 25.4100 -22.2600
20 C8x C 23.8000 -21.2100
21 C8y C 22.6800 -19.2500
22 O7a O 31.8500 -21.4200
23 C2x C 30.5900 -17.2200
24 C1a C 31.6400 -19.2500
25 O7a O 29.1900 -23.6600
26 C8y C 22.6800 -20.5100
27 C1z C 20.1600 -16.8700
28 C7a C 33.1800 -21.4200
29 C1a C 28.0000 -24.3600
30 O2a O 21.5600 -21.1400
31 C8y C 19.0400 -16.1000
32 C1x C 21.4200 -16.1000
33 C7a C 19.8100 -18.1300
34 C1a C 33.8100 -20.3000
35 O6a O 33.8100 -22.5400
36 C1a C 20.4400 -20.5100
37 C8y C 19.0400 -14.7700
38 N4x N 17.9200 -16.7300
39 C1y C 21.4200 -14.8400
40 O7a O 18.3400 -18.6200
41 O6a O 20.6500 -19.1800
42 C8y C 16.7300 -14.7700
43 C1x C 18.3400 -13.6500
44 C8y C 16.7300 -16.1000
45 C1x C 20.3000 -14.2100
46 C1x C 22.6100 -14.0000
47 C1a C 17.5000 -20.0200
48 C8x C 15.6100 -14.0700
49 C1x C 19.1100 -12.6700
50 C8x C 15.6100 -16.7300
51 N1y N 20.3000 -12.9500
52 C1z C 22.5400 -12.8800
53 C8x C 14.4900 -14.7700
54 C8x C 14.4900 -16.1000
55 C1x C 21.4200 -12.1800
56 C1b C 24.0800 -13.3700
57 O1a O 23.3800 -11.5500
58 C1a C 25.1300 -12.7400
59 O6a O 30.5200 -21.8400
60 O4a O 24.0100 -22.2600
BOND 68
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 6 15 1 #Down
15 7 16 1
16 8 17 1 #Down
17 8 18 1 #Up
18 9 19 1
19 10 20 1
20 11 21 2
21 13 22 1 #Up
22 14 23 2
23 15 24 1
24 17 25 1
25 20 26 2
26 27 21 1 #Down
27 22 28 1
28 25 29 1
29 26 30 1
30 27 31 1
31 27 32 1
32 27 33 1 #Up
33 28 34 1
34 28 35 2
35 30 36 1
36 31 37 2
37 31 38 1
38 32 39 1
39 33 40 1
40 33 41 2
41 37 42 1
42 37 43 1
43 38 44 1
44 39 45 1 #Down
45 39 46 1
46 40 47 1
47 42 48 1
48 43 49 1
49 44 50 1
50 51 45 1 #Down
51 46 52 1
52 48 53 2
53 50 54 2
54 51 55 1
55 52 56 1 #Down
56 52 57 1 #Up
57 56 58 1
58 7 12 1
59 8 13 1
60 9 10 1
61 16 23 1
62 21 26 1
63 42 44 2
64 49 51 1
65 52 55 1
66 53 54 1
67 17 59 2
68 19 60 2
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