| Entry |
|
|---|
| Name |
Clemizole undecylate (JAN) |
|---|
| Formula |
C19H20ClN3. C11H22O2
|
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| Exact mass |
511.2966
|
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| Mol weight |
512.12
|
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| Structure |
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| Remark |
|
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| Efficacy |
Antiallergic, Antipruritic, TRP channel inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Transient receptor potential channels
TRPC5
D02013 Clemizole undecylate (JAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 36
1 O6a O 25.1762 -16.7754
2 C6a C 26.3889 -16.0757
3 C1b C 27.6016 -16.7754
4 C1b C 28.8143 -16.0757
5 C1b C 30.0271 -16.7754
6 C1a C 31.2398 -16.0757
7 O6a O 26.3889 -14.6765
8 C8x C 15.7830 -17.3992
9 C8x C 16.9717 -18.0857
10 C8y C 18.1879 -17.3838
11 C8y C 18.1881 -15.9796
12 C8x C 16.9994 -15.2931
13 C8x C 15.7832 -15.9949
14 N5x N 19.5233 -17.8180
15 C8y C 20.3489 -16.6822
16 N4y N 19.5237 -15.5459
17 C1b C 21.7215 -16.6825
18 N1y N 22.4227 -15.4685
19 C1b C 19.5237 -14.1475
20 C8y C 18.3126 -13.4483
21 C8x C 18.3126 -12.0268
22 C8x C 17.1015 -11.3275
23 C8y C 15.8905 -12.0268
24 C8x C 15.8905 -13.4483
25 C8x C 17.1015 -14.1475
26 X Cl 14.6604 -11.3163
27 C1x C 23.8211 -15.4685
28 C1x C 24.2532 -14.1385
29 C1x C 23.1219 -13.3165
30 C1x C 21.9905 -14.1385
31 C1b C 27.6016 -16.7754
32 C1b C 28.8143 -16.0757
33 C1b C 27.6016 -16.7754
34 C1b C 28.8143 -16.0757
35 C1b C 27.6016 -16.7754
36 C1b C 28.8143 -16.0757
BOND 38
1 1 2 1
2 5 6 1
3 2 7 2
4 8 9 2
5 9 10 1
6 10 11 2
7 11 12 1
8 12 13 2
9 8 13 1
10 10 14 1
11 14 15 2
12 15 16 1
13 11 16 1
14 15 17 1
15 17 18 1
16 16 19 1
17 19 20 1
18 20 21 2
19 21 22 1
20 22 23 2
21 23 24 1
22 24 25 2
23 20 25 1
24 23 26 1
25 18 27 1
26 27 28 1
27 28 29 1
28 29 30 1
29 18 30 1
30 2 3 1
31 3 4 1
32 4 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 5 1
BRACKET 1 27.3700 -17.7100 27.3700 -15.6800
1 29.0500 -15.6800 29.0500 -17.7100
1 4
ORIGINAL 1 3 4
REPEAT 1 31 32 33 34 35 36
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