| Entry |
|
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| Name |
Aclarubicin hydrochloride (JP18);
Aclacinon (TN) |
|---|
| Formula |
C42H53NO15. HCl
|
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| Exact mass |
847.3182
|
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| Mol weight |
848.3289
|
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| Structure |
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| Simcomp |
|
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| Source |
Streptomyces galilaeus [TAX: 33899]
|
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| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
DG01529 Topoisomerase inhibitor
|
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| Remark |
| Therapeutic category: | 4235 |
| Product (DG00699): | D01911<JP> |
|
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| Efficacy |
Antineoplastic, Topoisomerase inhibitor |
|---|
| Target |
|
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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
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DB Anthracyclines and related substances
L01DB04 Aclarubicin
D01911 Aclarubicin hydrochloride (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
423 Antibiotics
4235 Anthracycline antibiotics
D01911 Aclarubicin hydrochloride (JP18)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00699 Aclarubicin
D01911 Aclarubicin hydrochloride
DG01529 Topoisomerase inhibitor
DG00699 Aclarubicin
D01911 Aclarubicin hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D01911 Aclarubicin hydrochloride (JP18) <JP>
TOP2
D01911 Aclarubicin hydrochloride (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01911 Aclarubicin hydrochloride
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00699 Aclarubicin
DG01529 Topoisomerase inhibitor
DG00699 Aclarubicin
|
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| Other DBs |
|
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| KCF data |
ATOM 59
1 C1y C 39.7600 -22.5400
2 C1x C 39.7600 -23.9400
3 C1x C 40.9500 -24.6400
4 C5x C 42.2100 -23.8700
5 C1y C 42.2100 -22.4700
6 O2x O 40.9500 -21.8400
7 C1a C 43.3300 -21.7700
8 C1y C 35.0700 -19.9500
9 O2x O 36.2600 -19.2500
10 C1y C 37.4500 -19.9500
11 C1y C 37.4500 -21.3500
12 C1y C 36.2600 -22.0500
13 C1x C 35.0700 -21.3500
14 O1a O 36.2600 -23.4500
15 O2a O 38.6400 -22.0500
16 C1a C 38.6400 -19.2500
17 O2a O 28.7700 -16.3800
18 C1y C 30.1700 -17.3600
19 C1x C 30.1700 -18.6900
20 O2x O 31.3600 -16.6600
21 C1y C 31.3600 -19.3900
22 C1y C 32.5500 -17.2900
23 C1y C 32.5500 -18.6900
24 N1c N 31.3600 -20.7200
25 C1a C 33.6700 -16.6600
26 O2a O 33.6700 -19.3200
27 C1z C 30.0300 -12.4600
28 O1a O 31.1500 -13.6500
29 C1b C 31.1500 -11.8300
30 C8x C 26.4600 -11.7600
31 C8x C 20.4400 -12.4600
32 C8x C 21.7000 -11.7600
33 C8y C 22.8900 -12.4600
34 C5x C 24.0800 -11.7600
35 C8y C 25.2700 -12.4600
36 C8x C 20.4400 -14.0700
37 C8y C 27.6500 -12.4600
38 C1y C 28.8400 -11.8300
39 C8y C 21.7000 -14.7000
40 C8y C 22.8900 -14.0700
41 C5x C 24.0100 -14.7000
42 C8y C 25.2700 -14.0700
43 C8y C 26.3900 -14.7700
44 C8y C 27.6500 -14.0700
45 C1y C 28.7700 -14.7700
46 C1x C 30.0300 -14.0700
47 O1a O 21.7000 -16.1000
48 O5x O 24.0100 -16.1000
49 O1a O 26.3900 -16.1000
50 O5x O 24.0800 -10.4300
51 C7a C 28.8400 -10.4300
52 O6a O 27.6500 -9.8000
53 O7a O 29.9600 -9.8000
54 O5x O 43.4000 -24.5700
55 C1a C 32.6200 -21.4200
56 C1a C 30.1700 -21.4200
57 C1a C 32.3545 -12.5435
58 C1a C 31.1645 -10.5135
59 X Cl 35.9100 -13.1600
BOND 64
1 12 14 1 #Up
2 11 15 1 #Up
3 5 7 1 #Up
4 10 16 1 #Up
5 1 15 1 #Down
6 1 2 1
7 2 3 1
8 3 4 1
9 4 5 1
10 5 6 1
11 8 9 1
12 9 10 1
13 10 11 1
14 11 12 1
15 18 19 1
16 18 20 1
17 19 21 1
18 20 22 1
19 21 23 1
20 21 24 1 #Up
21 22 25 1 #Up
22 23 26 1 #Up
23 22 23 1
24 18 17 1 #Down
25 31 36 1
26 30 37 2
27 37 38 1
28 38 27 1
29 27 28 1 #Down
30 36 39 2
31 39 40 1
32 27 29 1 #Up
33 40 41 1
34 41 42 1
35 42 43 1
36 43 44 2
37 44 45 1
38 45 46 1
39 31 32 2
40 39 47 1
41 41 48 2
42 32 33 1
43 43 49 1
44 33 40 2
45 35 42 2
46 37 44 1
47 34 50 2
48 27 46 1
49 33 34 1
50 38 51 1 #Up
51 51 52 2
52 34 35 1
53 51 53 1
54 35 30 1
55 45 17 1 #Down
56 8 26 1 #Down
57 4 54 2
58 12 13 1
59 24 55 1
60 13 8 1
61 24 56 1
62 6 1 1
63 29 57 1
64 53 58 1
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