| Entry |
|
|---|
| Name |
Mitoxantrone (INN);
Misostol (TN) |
|---|
| Formula |
C22H28N4O6
|
|---|
| Exact mass |
444.2009
|
|---|
| Mol weight |
444.4809
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01727 Anthraquinone antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
Transporter substrate
DG02861 ABCC2 substrate
DG01913 ABCG2 substrate
|
|---|
| Remark |
| Product (DG00701): | D02166<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
|---|
| Comment |
anthraquinone derivative - anthrapyrazole
|
|---|
| Target |
|
|---|
| Metabolism |
Transporter: ABCG2 [HSA: 9429], ABCC2 [HSA: 1244]
|
|---|
| Interaction |
|
|---|
| 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
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DB Anthracyclines and related substances
L01DB07 Mitoxantrone
D08224 Mitoxantrone (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01727 Anthraquinone antineoplastic
DG00701 Mitoxantrone
D08224 Mitoxantrone
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00701 Mitoxantrone
D08224 Mitoxantrone
Transporter substrate
DG02861 ABCC2 substrate
DG00701 Mitoxantrone
D08224 Mitoxantrone
DG01913 ABCG2 substrate
DG00701 Mitoxantrone
D08224 Mitoxantrone
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D08224 Mitoxantrone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D08224
Drug groups [BR:br08330]
Antineoplastic
DG01727 Anthraquinone antineoplastic
DG00701 Mitoxantrone
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
DG00701 Mitoxantrone
Transporter substrate
DG02861 ABCC2 substrate
DG00701 Mitoxantrone
DG01913 ABCG2 substrate
DG00701 Mitoxantrone
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C8x C 19.0400 -21.4200
2 C8x C 19.0400 -22.8200
3 C8y C 20.2524 -23.5200
4 C8y C 21.4649 -22.8200
5 C8y C 21.4649 -21.4200
6 C8y C 20.2524 -20.7200
7 C5x C 22.6773 -23.5200
8 C8y C 23.8897 -22.8200
9 C8y C 23.8897 -21.4200
10 C5x C 22.6773 -20.7200
11 C8y C 25.1022 -23.5200
12 C8x C 26.3146 -22.8200
13 C8x C 26.3146 -21.4200
14 C8y C 25.1022 -20.7200
15 N1b N 25.1022 -24.9197
16 N1b N 25.1022 -19.3203
17 O5x O 22.6773 -19.3200
18 O5x O 22.6773 -24.9200
19 O1a O 20.2524 -24.9198
20 O1a O 20.2524 -19.3202
21 C1b C 26.3354 -18.6080
22 C1b C 27.5415 -19.3041
23 N1b N 28.7233 -18.6216
24 C1b C 29.9176 -19.3110
25 C1b C 31.1054 -18.6251
26 O1a O 32.2966 -19.3128
27 C1b C 26.3354 -25.6320
28 C1b C 27.5415 -24.9359
29 N1b N 28.7233 -25.6184
30 C1b C 29.9176 -24.9290
31 C1b C 31.1054 -25.6149
32 O1a O 32.2966 -24.9272
BOND 34
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 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 11 15 1
18 14 16 1
19 10 17 2
20 7 18 2
21 3 19 1
22 6 20 1
23 16 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 15 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
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