KEGG   DRUG: D01290Help
Entry
D01290                      Drug                                   

Name
Nicergoline (JP16/USAN/INN);
Sermion (TN)
Formula
C24H26BrN3O3
Exact mass
483.1158
Mol weight
484.3855
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator
Remark
Therapeutic category: 
ATC code: 
Target
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug interaction
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)
BRITE hierarchy
Other DBs
CAS: 
27848-84-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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