| Entry |
|
|---|
| Name |
Aclarubicin (USAN/INN);
Aclacinomycin A;
ACM |
|---|
| Formula |
C42H53NO15
|
|---|
| Exact mass |
811.3415
|
|---|
| Mol weight |
811.8679
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Source |
Streptomyces galilaeus [TAX: 33899]
|
|---|
| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
DG01529 Topoisomerase inhibitor
|
|---|
| Remark |
| Product (DG00699): | D01911<JP> |
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase inhibitor |
|---|
| Target |
|
|---|
| Interaction |
|
|---|
| Biosynthesis |
| map01057 | Biosynthesis of type II polyketide products |
|
|---|
| 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
D02756 Aclarubicin (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
DG00699 Aclarubicin
D02756 Aclarubicin
DG01529 Topoisomerase inhibitor
DG00699 Aclarubicin
D02756 Aclarubicin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D02756 Aclarubicin (USAN/INN)
TOP2
D02756 Aclarubicin (USAN/INN)
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 58
1 C1y C 32.6900 -22.1200
2 C1x C 32.6900 -23.5200
3 C1x C 33.8800 -24.1500
4 C5x C 35.1400 -23.4500
5 C1y C 35.1400 -22.0500
6 O2x O 33.8800 -21.4200
7 C1a C 36.2600 -21.3500
8 C1y C 28.0000 -19.5300
9 O2x O 29.1900 -18.8300
10 C1y C 30.3800 -19.5300
11 C1y C 30.3800 -20.9300
12 C1y C 29.1900 -21.6300
13 C1x C 28.0000 -20.9300
14 O1a O 29.1900 -23.0300
15 O2a O 31.5700 -21.6300
16 C1a C 31.5700 -18.8300
17 O2a O 21.8400 -15.9600
18 C1y C 23.1700 -16.9400
19 C1x C 23.1700 -18.2700
20 O2x O 24.2900 -16.2400
21 C1y C 24.2900 -18.9700
22 C1y C 25.4800 -16.8700
23 C1y C 25.4800 -18.2700
24 N1c N 24.2900 -20.3000
25 C1a C 26.6000 -16.2400
26 O2a O 26.6000 -18.9000
27 C1z C 23.0300 -12.0400
28 O1a O 24.0800 -13.2300
29 C1b C 24.0800 -11.4100
30 C8x C 19.5300 -11.3400
31 C8x C 13.5100 -12.0400
32 C8x C 14.7700 -11.3400
33 C8y C 15.9600 -12.0400
34 C5x C 17.1500 -11.3400
35 C8y C 18.3400 -12.0400
36 C8x C 13.5100 -13.6500
37 C8y C 20.7200 -12.0400
38 C1y C 21.9100 -11.4100
39 C8y C 14.7700 -14.2800
40 C8y C 15.9600 -13.6500
41 C5x C 17.0800 -14.2800
42 C8y C 18.3400 -13.6500
43 C8y C 19.4600 -14.3500
44 C8y C 20.7200 -13.6500
45 C1y C 21.8400 -14.3500
46 C1x C 23.0300 -13.6500
47 O1a O 14.7700 -15.6800
48 O5x O 17.0800 -15.6800
49 O1a O 19.4600 -15.6800
50 O5x O 17.1500 -10.0100
51 C7a C 21.9100 -10.0100
52 O6a O 20.7200 -9.4500
53 O7a O 22.9600 -9.4500
54 O5x O 36.3300 -24.0800
55 C1a C 25.5500 -21.0000
56 C1a C 23.1700 -21.0000
57 C1a C 25.3400 -12.1800
58 C1a C 24.1500 -10.1500
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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