| Entry |
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| Name |
Paclitaxel poliglumex (USAN/INN) |
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| Formula |
H2O(C52H56N2O16(C5H7NO3)b(C5H7NO3)a)n
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| Structure |
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| Class |
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
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| Remark |
| Product (DG01430): | D00491<JP/US> |
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| Efficacy |
Antineoplastic, Tubulin depolymerization inhibitor |
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| Target |
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| Pathway |
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| Metabolism |
Enzyme: CYP2C8 [HSA: 1558], CYP3A4 [HSA: 1576]
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| Interaction |
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| Structure map |
| map07042 | Antineoplastics - agents from natural products |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CD Taxanes
L01CD03 Paclitaxel poliglumex
D05333 Paclitaxel poliglumex (USAN/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01430 Paclitaxel
D05333 Paclitaxel poliglumex
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01430 Paclitaxel
D05333 Paclitaxel poliglumex
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D05333 Paclitaxel poliglumex (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05333
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG01430 Paclitaxel
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01430 Paclitaxel
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| Other DBs |
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| KCF data |
ATOM 89
1 C1y C 36.4554 -14.8983
2 C1z C 37.5709 -15.5365
3 C1y C 35.6503 -15.7723
4 C1z C 36.4554 -13.6043
5 C1y C 38.6864 -14.8983
6 C1x C 38.7325 -16.2782
7 O7a O 37.5595 -16.9339
8 C1z C 33.1547 -15.7551
9 O7a O 35.6677 -18.0440
10 C5x C 34.7591 -12.5292
11 C1y C 37.5709 -12.9660
12 C1a C 36.5416 -11.5557
13 O2x O 39.7733 -15.6342
14 C1x C 38.6864 -13.6043
15 C7a C 38.7613 -17.6353
16 C1z C 33.1547 -14.4613
17 C1x C 32.0392 -16.4047
18 O1a O 33.1375 -17.0143
19 C7a C 34.5406 -18.6708
20 C1y C 32.0450 -12.5348
21 O5x O 34.7821 -11.1145
22 O1a O 37.5767 -11.8106
23 C1a C 39.9745 -16.9567
24 O6a O 38.7499 -19.0328
25 C2y C 32.0392 -13.8229
26 C1a C 34.0284 -13.4722
27 C1a C 34.1607 -14.9614
28 C1y C 30.9237 -15.7551
29 C8y C 34.5233 -19.9645
30 O6a O 33.4365 -18.0094
31 O7a O 30.9293 -11.8851
32 C2y C 30.9237 -14.4613
33 O7a O 29.4457 -16.4910
34 C7a C 30.9293 -10.5970
35 C1a C 29.8081 -13.8229
36 C7a C 28.2899 -15.8240
37 C1a C 32.0450 -9.9530
38 O6a O 29.8196 -9.9530
39 C1c C 27.1226 -16.4968
40 O6a O 28.2899 -14.4843
41 C1c C 25.9611 -15.8240
42 C8y C 24.7995 -16.4968
43 N1b N 25.9611 -14.4843
44 C8x C 23.6321 -15.8240
45 C8x C 24.7995 -17.8366
46 C5a C 24.7937 -13.8172
47 C8x C 22.4706 -16.4968
48 C8x C 23.6321 -18.5151
49 C8y C 24.7937 -12.4772
50 O5a O 23.6321 -14.4843
51 C8x C 22.4706 -17.8366
52 C8x C 23.6265 -11.8046
53 C8x C 25.9553 -11.8046
54 C8x C 23.6265 -10.4589
55 C8x C 25.9553 -10.4589
56 C8x C 24.7937 -9.7861
57 C8x C 33.2348 -20.6470
58 C8x C 33.2156 -22.0297
59 C8x C 34.4738 -22.7371
60 C8x C 35.6932 -22.0545
61 C8x C 35.7116 -20.6718
62 C1c C 27.0579 -25.5496
63 N1b N 25.8693 -26.2354
64 C5a C 28.2940 -26.2643
65 C1b C 28.2452 -23.4496
66 C1b C 27.0586 -24.1343
67 C5a C 23.9864 -25.5520
68 N1b N 30.2024 -25.5676
69 O5a O 28.2931 -27.6499
70 C1c C 31.3825 -26.2498
71 C6a C 32.5783 -25.5602
72 C7a C 28.2458 -22.0504
73 O6a O 29.4841 -21.3357
74 O7a O 27.0593 -21.3646
75 O6a O 43.4947 -27.9961
76 O6a O 32.5792 -24.1503
77 C1c C 22.7924 -26.2410
78 O5a O 23.9868 -24.1502
79 N1a N 21.6048 -25.5549
80 C1b C 22.7919 -28.5597
81 C1b C 31.3818 -28.5598
82 C1b C 32.5775 -29.2511
83 C6a C 33.7658 -28.5658
84 O6a O 34.9559 -29.2539
85 C1b C 21.6003 -29.2473
86 C6a C 20.4158 -28.5630
87 O6a O 19.2228 -29.2516
88 O6a O 20.4161 -27.1602
89 O6a O 33.7667 -27.1603
BOND 95
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 4 11 1
11 4 12 1 #Up
12 5 13 1 #Up
13 5 14 1
14 7 15 1
15 8 16 1
16 8 17 1
17 8 18 1 #Up
18 9 19 1
19 10 20 1
20 10 21 2
21 11 22 1 #Up
22 15 23 1
23 15 24 2
24 16 25 1
25 16 26 1
26 16 27 1
27 17 28 1
28 19 29 1
29 19 30 2
30 20 31 1 #Up
31 25 32 2
32 28 33 1 #Down
33 31 34 1
34 32 35 1
35 33 36 1
36 34 37 1
37 34 38 2
38 36 39 1
39 36 40 2
40 39 41 1
41 41 42 1
42 41 43 1 #Down
43 42 44 2
44 42 45 1
45 43 46 1
46 44 47 1
47 45 48 2
48 46 49 1
49 46 50 2
50 47 51 2
51 49 52 1
52 49 53 2
53 52 54 2
54 53 55 1
55 54 56 1
56 6 13 1
57 11 14 1
58 20 25 1
59 28 32 1
60 48 51 1
61 55 56 2
62 29 57 2
63 57 58 1
64 58 59 2
65 59 60 1
66 60 61 2
67 29 61 1
68 62 63 1
69 62 64 1
70 65 66 1
71 62 66 1 #Up
72 63 67 1
73 64 68 1
74 64 69 2
75 68 70 1
76 70 71 1
77 65 72 1
78 72 73 2
79 72 74 1
80 39 74 1 #Down
81 71 75 1
82 71 76 2
83 67 77 1
84 67 78 2
85 77 79 1
86 77 80 1 #Down
87 70 81 1 #Down
88 81 82 1
89 82 83 1
90 83 84 1
91 80 85 1
92 85 86 1
93 86 87 1
94 86 88 2
95 83 89 2
BRACKET 1 29.5400 -29.8900 29.5400 -23.7300
1 36.1900 -23.7300 36.1900 -29.8900
1 b
ORIGINAL 1 68 70 71 76 82 83 84 85 90
REPEAT 1
2 17.9900 -29.9600 17.9900 -23.5900
2 24.5700 -23.5900 24.5700 -29.9600
2 a
ORIGINAL 2 67 77 78 79 81 86 87 88 89
REPEAT 2
3 17.2900 -30.1700 17.2900 -9.3100
3 41.5800 -9.3100 41.5800 -30.1700
3 n
ORIGINAL 3 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
3 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32
3 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
3 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
3 65 66 67 68 69 70 71 72 73 74 76 77 78 79 81 82
3 83 84 85 86 87 88 89 90
REPEAT 3
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