| Entry |
|
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| Name |
Topotecan (BAN);
Hycamtin (TN) |
|---|
| Formula |
C23H23N3O5
|
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| Exact mass |
421.1638
|
|---|
| Mol weight |
421.44
|
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| Structure |
|
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| Simcomp |
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| Class |
|
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| Remark |
| Product (DG00725): | D02168<JP/US> |
|
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| Efficacy |
Antineoplastic, Topoisomerase I inhibitor |
|---|
| Comment |
Camptothecin derivative
|
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| Target |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243], ABCG2 [HSA: 9429], ABCC4 [HSA: 10257]
|
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| Interaction |
|
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| Structure map |
| map07042 | Antineoplastics - agents from natural products |
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| Other map |
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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
L01CE Topoisomerase 1 (TOP1) inhibitors
L01CE01 Topotecan
D08618 Topotecan (BAN)
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
DG00725 Topotecan
D08618 Topotecan
Transporter substrate
DG01665 ABCB1 substrate
DG00725 Topotecan
D08618 Topotecan
DG02920 ABCC4 substrate
DG00725 Topotecan
D08618 Topotecan
DG01913 ABCG2 substrate
DG00725 Topotecan
D08618 Topotecan
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D08618 Topotecan (BAN)
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D08618
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D08618
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
DG00725 Topotecan
Transporter substrate
DG01665 ABCB1 substrate
DG00725 Topotecan
DG02920 ABCC4 substrate
DG00725 Topotecan
DG01913 ABCG2 substrate
DG00725 Topotecan
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| Other DBs |
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| KCF data |
ATOM 31
1 C8y C 27.7200 -17.8500
2 C8x C 26.1100 -20.0900
3 C8y C 28.2800 -19.1100
4 O5x O 28.5600 -16.6600
5 C8y C 27.4400 -20.2300
6 C1x C 29.6800 -19.2500
7 C1z C 28.0700 -21.4900
8 O7x O 30.2400 -20.5100
9 C7x C 29.4000 -21.6300
10 C1b C 26.6000 -21.3500
11 O1a O 28.6300 -22.8200
12 O6a O 30.0300 -22.9600
13 C1a C 25.7600 -22.5400
14 C8y C 25.4800 -18.8300
15 N4y N 26.3200 -17.7100
16 C1x C 25.4800 -16.5900
17 C8y C 24.1500 -18.4100
18 C8y C 24.1500 -17.0100
19 C8x C 22.9600 -16.3100
20 N5x N 22.9600 -19.1100
21 C8y C 21.7700 -18.4100
22 C8y C 21.7700 -17.0100
23 C8y C 20.5800 -16.3800
24 C8y C 19.3900 -17.0800
25 C8x C 19.3900 -18.4100
26 C8x C 20.5800 -19.1100
27 C1b C 20.5800 -14.9800
28 N1c N 19.3900 -14.2800
29 C1a C 19.3900 -12.8800
30 C1a C 18.2000 -14.9800
31 O1a O 18.1300 -16.3800
BOND 35
1 14 2 2
2 14 15 1
3 15 16 1
4 16 18 1
5 17 14 1
6 1 3 1
7 1 4 2
8 2 5 1
9 3 6 1
10 17 18 2
11 18 19 1
12 19 22 2
13 21 20 2
14 20 17 1
15 5 7 1
16 6 8 1
17 7 9 1
18 7 10 1 #Down
19 7 11 1 #Up
20 9 12 2
21 21 22 1
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 2
26 26 21 1
27 23 27 1
28 10 13 1
29 27 28 1
30 3 5 2
31 28 29 1
32 8 9 1
33 28 30 1
34 15 1 1
35 24 31 1
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