| Entry |
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| Name |
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| Formula |
C33H38N4O6
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| Exact mass |
586.2791
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| Mol weight |
586.68
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map00983 | Drug metabolism - other enzymes |
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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tryptophan and anthranilic acid
Quinoline alkaloids
C16641 Irinotecan
Prodrugs [br08324.html]
C16641
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CE Topoisomerase 1 (TOP1) inhibitors
L01CE02 Irinotecan
D08086 Irinotecan (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
DG00726 Irinotecan
D08086 Irinotecan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00726 Irinotecan
D08086 Irinotecan
DG02970 CES substrate
DG00726 Irinotecan
D08086 Irinotecan
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG00726 Irinotecan
D08086 Irinotecan
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D08086 Irinotecan (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08086
Prodrugs [br08324.html]
D08086
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 43
1 C8y C 24.2099 -19.7726
2 C8x C 24.2099 -21.1690
3 C8x C 25.3968 -21.8673
4 C8y C 26.5838 -21.1690
5 C8y C 26.5838 -19.7726
6 C8x C 25.3968 -19.0744
7 N5x N 27.8406 -21.8673
8 C8y C 29.0276 -21.1690
9 C8y C 29.0276 -19.7726
10 C8y C 27.8406 -19.0744
11 O7a O 22.9530 -19.0744
12 C7a C 21.7661 -19.7726
13 O6a O 21.7661 -21.1690
14 N1y N 20.5791 -19.0744
15 C1x C 20.5791 -17.6779
16 C1x C 19.3223 -16.9797
17 C1y C 18.1353 -17.6779
18 C1x C 18.1353 -19.0744
19 C1x C 19.3223 -19.7726
20 N1y N 16.9483 -16.9797
21 C1x C 16.9483 -15.5832
22 C1x C 15.6915 -14.8850
23 C1x C 14.5045 -15.5832
24 C1x C 14.5045 -16.9797
25 C1x C 15.6915 -17.6779
26 C8y C 30.3543 -21.5880
27 N4y N 31.1921 -20.4708
28 C1x C 30.3543 -19.3537
29 C8y C 32.5188 -20.4708
30 C8y C 33.2170 -21.6578
31 C8y C 32.5886 -22.8448
32 C8x C 31.1223 -22.8448
33 C1z C 33.2868 -24.0318
34 C7x C 34.6833 -24.0318
35 O7x O 35.3117 -22.8448
36 C1x C 34.6134 -21.6578
37 O5x O 33.2170 -19.2140
38 O6a O 35.3815 -25.2886
39 C1b C 27.8406 -17.6779
40 C1a C 26.5838 -16.9797
41 C1b C 31.8903 -24.0318
42 O1a O 33.2868 -25.4980
43 C1a C 31.1921 -25.2886
BOND 49
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 11 12 1
14 12 13 2
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 17 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 8 26 1
30 26 27 1
31 27 28 1
32 9 28 1
33 27 29 1
34 29 30 1
35 30 31 2
36 31 32 1
37 31 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 30 36 1
42 32 26 2
43 29 37 2
44 34 38 2
45 10 39 1
46 39 40 1
47 33 41 1 #Down
48 33 42 1 #Up
49 41 43 1
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