| Entry |
|
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| Name |
Nicergoline (JP16/USAN/INN);
Sermion (TN)
|
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| Formula |
C24H26BrN3O3
|
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| Exact mass |
483.1158
|
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| Mol weight |
484.3855
|
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| Structure |
     |
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| Activity |
Vasodilator
|
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| Remark |
Therapeutic category: ATC code: |
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| Target |
|
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| Pathway |
hsa04020 Calcium signaling pathway
hsa04080 Neuroactive ligand-receptor interaction
hsa04270 Vascular smooth muscle contraction | |
|
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
219 Miscellaneous
2190 Miscellaneous
D01290 Nicergoline (JP16/USAN/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AE Ergot alkaloids
C04AE02 Nicergoline
D01290 Nicergoline (JP16/USAN/INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135]
Nicergoline [ATC:C04AE02]
D01290 Nicergoline (JP16/USAN/INN)
 |
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| Other DBs |
CAS: 27848-84-6 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 31
1 C8x C 19.1423 -18.2109
2 C8x C 19.1353 -19.5858
3 C8y C 20.3226 -20.2793
4 C8x C 20.3364 -17.5294
5 C8y C 21.5237 -18.2229
6 C8y C 21.5097 -19.5921
7 C8y C 22.6884 -20.2891
8 C1x C 23.8812 -19.6166
9 C1z C 22.7166 -17.5504
10 C1y C 23.8919 -18.2496
11 N1y N 25.1550 -17.5813
12 C1x C 25.1026 -16.2138
13 C1y C 23.9274 -15.5147
14 C1x C 22.7343 -16.1832
15 C1a C 26.2666 -18.2841
16 C1b C 23.9452 -14.1400
17 O7a O 25.1446 -13.4680
18 C7a C 26.3264 -14.1708
19 C8y C 27.5260 -13.4988
20 O6a O 26.3085 -15.5457
21 C8x C 28.7036 -14.2021
22 C8y C 29.9030 -13.5302
23 C8x C 29.9208 -12.1554
24 N5x N 28.7392 -11.4526
25 C8x C 27.5396 -12.1246
26 X Br 31.0848 -14.2331
27 O2a O 21.5172 -16.8568
28 C1a C 21.5182 -15.4819
29 N4y N 20.3089 -21.6482
30 C8x C 22.6768 -21.6620
31 C1a C 19.3290 -22.6126
BOND 35
1 11 15 1
2 6 7 1
3 13 16 1 #Up
4 7 8 1
5 16 17 1
6 8 10 1
7 17 18 1
8 9 5 1
9 18 19 1
10 5 4 2
11 18 20 2
12 4 1 1
13 1 2 2
14 2 3 1
15 3 6 2
16 19 21 2
17 21 22 1
18 22 23 2
19 23 24 1
20 24 25 2
21 25 19 1
22 9 10 1
23 22 26 1
24 10 11 1
25 9 27 1 #Down
26 11 12 1
27 27 28 1
28 12 13 1
29 13 14 1
30 3 29 1
31 14 9 1
32 7 30 2
33 29 30 1
34 5 6 1
35 29 31 1
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