KEGG   COMPOUND: C07222Help
Entry
C07222                      Compound                               

Name
Mibefradil
Formula
C29H38FN3O3
Exact mass
495.2897
Mol weight
495.6287
Structure
Mol fileKCF fileDB search
Remark
Same as: D08217
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CX Other selective calcium channel blockers with mainly vascular effects
     C08CX01 Mibefradil
      D08217  Mibefradil (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D08217  Mibefradil (INN)
    CACNA1-L
     D08217  Mibefradil (INN)
BRITE hierarchy
Other DBs
CAS: 116644-53-2
PubChem: 9431
ChEBI: 6920
ChEMBL: CHEMBL45816
PDB-CCD: MWV[PDBj]
NIKKAJI: J281.718G
KCF data Show

ATOM        36
            1   C1z C    21.7988  -16.1940
            2   C1y C    20.6284  -16.8112
            3   C1x C    21.7814  -14.8547
            4   C1b C    23.0392  -17.0267
            5   O7a O    24.1049  -13.9637
            6   C8y C    19.4812  -16.1124
            7   C1c C    20.5760  -18.1565
            8   C1x C    20.7159  -14.1385
            9   C1b C    24.2272  -16.3921
            10  C7a C    25.3044  -14.6508
            11  C8y C    19.4638  -14.7790
            12  C8x C    18.3108  -16.7472
            13  C1a C    19.3823  -18.7970
            14  C1a C    21.7115  -18.8785
            15  N1c N    25.3627  -17.1083
            16  C1b C    26.4865  -13.9637
            17  O6a O    25.3044  -16.0251
            18  C8x C    18.3866  -14.0569
            19  C8x C    17.1637  -16.0484
            20  C1b C    26.5565  -16.4677
            21  C1a C    25.3277  -18.4535
            22  O2a O    27.6745  -14.6508
            23  C8y C    17.1345  -14.7034
            24  C1b C    27.6862  -17.1956
            25  C1a C    28.8683  -13.9637
            26  X   F    16.0515  -13.9929
            27  C1b C    28.8798  -16.5550
            28  C8y C    30.0154  -17.2712
            29  N4x N    30.0501  -18.6222
            30  N5x N    31.2848  -16.7763
            31  C8y C    31.4245  -18.9368
            32  C8y C    32.1466  -17.7895
            33  C8x C    32.0536  -20.1130
            34  C8x C    33.4802  -17.7720
            35  C8x C    33.3929  -20.0953
            36  C8x C    34.1091  -19.0415
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 2
            17   11  18 1
            18   12  19 2
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   18  23 2
            23   20  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 2
            35   34  36 2
            36    8  11 1
            37   19  23 1
            38   31  32 2
            39   35  36 1

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