| Entry |
|
|---|
| Name |
Cycloguanil pamoate (USAN);
Cycloguanil embonate (INN) |
|---|
| Formula |
C23H16O6. (C11H14ClN5)2
|
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| Exact mass |
890.2822
|
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| Mol weight |
891.8003
|
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| Structure |
|
|---|
| Simcomp |
|
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| Class |
Antiparasitic
DG01932 Antifolate, antiprotozoal
|
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| Remark |
|
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| Efficacy |
Antimalarial |
|---|
| Comment |
Biguanide
|
|---|
| Target |
dihydrofolate reductase [KO: K13998] |
|---|
| Pathway |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BB Biguanides
P01BB02 Cycloguanil embonate
D02387 Cycloguanil pamoate (USAN)
Drug groups [BR:br08330]
Antiparasitic
DG01932 Antifolate, antiprotozoal
D02387 Cycloguanil pamoate
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Biguanide
D02387 Cycloguanil pamoate (USAN)
|
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| Other DBs |
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| KCF data |
ATOM 63
1 C2y C 16.0661 -14.6226
2 N1y N 17.2944 -15.3003
3 N2x N 14.8739 -15.3370
4 C1z C 17.2561 -16.6968
5 C2y C 14.8285 -16.7218
6 N2x N 16.1264 -17.4066
7 C8y C 18.5012 -14.6106
8 C8x C 18.5012 -13.2183
9 C8x C 19.7023 -15.3062
10 C8x C 19.7081 -12.5216
11 C8x C 20.9020 -14.6164
12 C8y C 20.9080 -13.2242
13 X Cl 22.1178 -12.5275
14 N1a N 16.1107 -13.2292
15 N1a N 13.7022 -17.4427
16 C1a C 18.0116 -17.9010
17 C1a C 18.7191 -16.6963
18 C8x C 25.4197 -16.5027
19 C8x C 25.4197 -17.8719
20 C8x C 26.6054 -18.5564
21 C8x C 27.7912 -17.8719
22 C8y C 27.7912 -16.5027
23 C8y C 26.6054 -15.8182
24 C8y C 28.9769 -15.8182
25 C8y C 28.9769 -14.4489
26 C8y C 27.7912 -13.7644
27 C8x C 26.6054 -14.4489
28 C1b C 30.8492 -16.6408
29 C8y C 32.4301 -15.8281
30 C8y C 33.5908 -16.4982
31 C8y C 34.7765 -15.8135
32 C8x C 34.7765 -14.4444
33 C8y C 33.6158 -13.7744
34 C8y C 32.4300 -14.4590
35 C8x C 33.5908 -17.8674
36 C8x C 34.7766 -18.5519
37 C8x C 35.9622 -17.8673
38 C8x C 35.9622 -16.4981
39 C6a C 27.7912 -12.3954
40 O6a O 28.9953 -11.7001
41 O6a O 26.6239 -11.7214
42 C6a C 33.6156 -12.3953
43 O6a O 32.4441 -11.7191
44 O6a O 34.8155 -11.7023
45 O1a O 30.1646 -13.7632
46 O1a O 31.2193 -13.7599
47 C2y C 16.0661 -14.6226
48 N1y N 17.2944 -15.3003
49 C1z C 17.2561 -16.6968
50 N2x N 16.1264 -17.4066
51 C2y C 14.8285 -16.7218
52 N2x N 14.8739 -15.3370
53 N1a N 13.7022 -17.4427
54 C1a C 18.0116 -17.9010
55 C1a C 18.7191 -16.6963
56 C8y C 18.5012 -14.6106
57 C8x C 18.5012 -13.2183
58 C8x C 19.7081 -12.5216
59 C8y C 20.9080 -13.2242
60 C8x C 20.9020 -14.6164
61 C8x C 19.7023 -15.3062
62 X Cl 22.1178 -12.5275
63 N1a N 16.1107 -13.2292
BOND 68
1 18 19 2
2 19 20 1
3 20 21 2
4 21 22 1
5 22 23 2
6 18 23 1
7 22 24 1
8 24 25 2
9 25 26 1
10 26 27 2
11 23 27 1
12 24 28 1
13 28 29 1
14 29 30 1
15 30 31 2
16 31 32 1
17 32 33 2
18 33 34 1
19 29 34 2
20 30 35 1
21 35 36 2
22 36 37 1
23 37 38 2
24 31 38 1
25 26 39 1
26 39 40 2
27 39 41 1
28 33 42 1
29 42 43 2
30 42 44 1
31 25 45 1
32 34 46 1
33 1 2 1
34 1 3 2
35 2 4 1
36 3 5 1
37 4 6 1
38 5 6 2
39 7 2 1
40 7 8 1
41 7 9 2
42 8 10 2
43 9 11 1
44 10 12 1
45 11 12 2
46 12 13 1
47 1 14 1
48 5 15 1
49 4 16 1
50 4 17 1
51 47 48 1
52 47 52 2
53 48 49 1
54 52 51 1
55 49 50 1
56 51 50 2
57 56 48 1
58 56 57 1
59 56 61 2
60 57 58 2
61 61 60 1
62 58 59 1
63 60 59 2
64 59 62 1
65 47 63 1
66 51 53 1
67 49 54 1
68 49 55 1
BRACKET 1 11.7600 -18.5500 11.7600 -11.6200
1 23.3800 -11.6200 23.3800 -18.5500
1 2
ORIGINAL 1 1 2 4 6 5 3 15 16 17 7 8 10 12 11 9 13
1 14
REPEAT 1 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62
1 63
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