| Entry |
|
|---|
| Name |
Irinotecan sucrosofate (USAN) |
|---|
| Formula |
(C12H22O35S8)x. C33H38N4O6
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00726): | D01061<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase I inhibitor |
|---|
| Comment |
Active form of prodrug: SN-38 [CPD: C11173]
|
|---|
| Target |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Brite |
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
D10642 Irinotecan sucrosofate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
DG00726 Irinotecan
D10642 Irinotecan sucrosofate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00726 Irinotecan
D10642 Irinotecan sucrosofate
DG02970 CES substrate
DG00726 Irinotecan
D10642 Irinotecan sucrosofate
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG00726 Irinotecan
D10642 Irinotecan sucrosofate
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D10642 Irinotecan sucrosofate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10642
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
DG00726 Irinotecan
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00726 Irinotecan
DG02970 CES substrate
DG00726 Irinotecan
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG00726 Irinotecan
Prodrugs [br08324.html]
DG00726
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 98
1 C8y C 17.7800 -8.8900
2 C8x C 17.7800 -10.2900
3 C8x C 18.9700 -10.9900
4 C8y C 20.1600 -10.2900
5 C8y C 20.1600 -8.8900
6 C8x C 18.9700 -8.1900
7 N5x N 21.4200 -10.9900
8 C8y C 22.6100 -10.2900
9 C8y C 22.6100 -8.8900
10 C8y C 21.4200 -8.1900
11 O7a O 16.5200 -8.1900
12 C7a C 15.3300 -8.8900
13 O6a O 15.3300 -10.2900
14 N1y N 14.1400 -8.1900
15 C1x C 14.1400 -6.8600
16 C1x C 12.8800 -6.1600
17 C1y C 11.6900 -6.8600
18 C1x C 11.6900 -8.1900
19 C1x C 12.8800 -8.8900
20 N1y N 10.5000 -6.1600
21 C1x C 10.5000 -4.6900
22 C1x C 9.2400 -3.9900
23 C1x C 8.0500 -4.6900
24 C1x C 8.0500 -6.1600
25 C1x C 9.2400 -6.8600
26 C8y C 23.9400 -10.7100
27 N4y N 24.7800 -9.5900
28 C1x C 23.9400 -8.4700
29 C8y C 26.1100 -9.5900
30 C8y C 26.8100 -10.7800
31 C8y C 26.1800 -11.9700
32 C8x C 24.7100 -11.9700
33 C1z C 26.8800 -13.1600
34 C7x C 28.2100 -13.1600
35 O7x O 28.8400 -11.9700
36 C1x C 28.1400 -10.7800
37 O5x O 26.8100 -8.3300
38 O6a O 28.9100 -14.4200
39 C1b C 21.4200 -6.8600
40 C1a C 20.1600 -6.1600
41 C1b C 25.4800 -13.1600
42 O1a O 26.8800 -14.6300
43 C1a C 24.7800 -14.4200
44 O2a O 18.4100 -21.4200
45 C1y C 17.0100 -22.2600
46 O2x O 15.7500 -21.5600
47 C1y C 17.0100 -23.6600
48 C1y C 14.5600 -22.2600
49 C1y C 15.7500 -24.3600
50 O2a O 18.2000 -24.3600
51 C1y C 14.5600 -23.6600
52 C1b C 13.4400 -21.4900
53 O2a O 15.7500 -25.7600
54 O2a O 13.3700 -24.3600
55 S4a S 12.1800 -23.6600
56 S4a S 14.5600 -26.4600
57 S4a S 18.2000 -25.7600
58 O1d O 10.9200 -22.9600
59 O1d O 12.8800 -22.4700
60 O1d O 11.4800 -24.8500
61 O1d O 13.3700 -27.1600
62 O1d O 15.2600 -27.6500
63 O1d O 13.8600 -25.2700
64 O1d O 18.2000 -27.1600
65 O1d O 19.6000 -25.7600
66 O1d O 16.8000 -25.7600
67 C1z C 20.3700 -19.6000
68 O2x O 21.5600 -18.7600
69 C1y C 20.7900 -20.8600
70 C1y C 22.6800 -19.6000
71 C1y C 22.1900 -20.8600
72 C1b C 19.3900 -18.6200
73 O2a O 18.1300 -19.1800
74 S4a S 17.0100 -18.3400
75 O1d O 16.0300 -17.3600
76 O1d O 16.1000 -19.3900
77 O1d O 17.9200 -17.2900
78 C1b C 23.8000 -18.8300
79 O2a O 24.7100 -19.5300
80 S4a S 26.1100 -19.5300
81 O1d O 27.5100 -19.5300
82 O1d O 26.1100 -18.1300
83 O1d O 26.1100 -20.9300
84 O2a O 19.9500 -22.0500
85 S4a S 20.5800 -23.3100
86 O1d O 21.2800 -24.5000
87 O1d O 19.3200 -23.9400
88 O1d O 21.8400 -22.6100
89 O2a O 13.4400 -20.3000
90 S4a S 12.2276 -19.6000
91 O1d O 11.0152 -18.9000
92 O1d O 12.9276 -18.3876
93 O1d O 11.5276 -20.8124
94 O2a O 23.5200 -22.3300
95 S4a S 24.9200 -22.3300
96 O1d O 26.3200 -22.3300
97 O1d O 24.9200 -23.7300
98 O1d O 24.9200 -20.9300
BOND 105
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
50 45 44 1 #Down
51 45 46 1
52 45 47 1
53 46 48 1
54 47 49 1
55 47 50 1 #Down
56 48 51 1
57 48 52 1 #Up
58 49 53 1 #Up
59 51 54 1 #Down
60 49 51 1
61 54 55 1
62 53 56 1
63 50 57 1
64 55 58 1
65 55 59 2
66 55 60 2
67 56 61 1
68 56 62 2
69 56 63 2
70 57 64 1
71 57 65 2
72 57 66 2
73 67 68 1
74 67 69 1
75 68 70 1
76 69 71 1
77 70 71 1
78 67 44 1 #Down
79 72 73 1
80 73 74 1
81 74 75 1
82 74 76 2
83 74 77 2
84 67 72 1
85 78 79 1
86 79 80 1
87 80 81 1
88 80 82 2
89 80 83 2
90 70 78 1 #Down
91 84 85 1
92 85 86 1
93 85 87 2
94 85 88 2
95 69 84 1 #Down
96 52 89 1
97 89 90 1
98 90 91 1
99 90 92 2
100 90 93 2
101 94 95 1
102 95 96 1
103 95 97 2
104 95 98 2
105 71 94 1 #Up
BRACKET 1 8.1900 -28.3500 8.1900 -16.0300
1 28.7000 -16.0300 28.7000 -28.3500
1 x
ORIGINAL 1 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59
1 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
1 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91
1 92 93 94 95 96 97 98
REPEAT 1
|
|---|
