KEGG   DRUG: Ranolazine hydrochloride
Entry
D05701                      Drug                                   

Name
Ranolazine hydrochloride (USAN)
Formula
C24H33N3O4. 2HCl
Exact mass
499.2005
Mol weight
500.4584
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
Remark
ATC code: C01EB18
Chemical structure group: DG00247
Product (DG00247): D05700<US>
Efficacy
Vasodilator
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB18 Ranolazine
      D05701  Ranolazine hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05701
 Drug transporters
  D05701
Other DBs
CAS: 95635-56-6
PubChem: 47207362
ChEMBL: CHEMBL1526084
DrugBank: DB00243
LigandBox: D05701
LinkDB
KCF data

ATOM        33
            1   C8y C    16.7359  -19.8252
            2   C8y C    15.5233  -20.5247
            3   O2a O    17.9542  -20.5247
            4   C8x C    16.7359  -18.4262
            5   C8x C    14.3106  -19.8252
            6   O2a O    15.5291  -21.9239
            7   C1b C    19.1609  -19.8252
            8   C8x C    15.5233  -17.7208
            9   C8x C    14.3106  -18.4262
            10  C1a C    14.3106  -22.6351
            11  C1c C    20.3735  -20.5247
            12  C1b C    21.5917  -19.8252
            13  O1a O    20.3735  -21.9239
            14  N1y N    22.8045  -20.5188
            15  C1x C    22.8102  -21.9255
            16  C1x C    24.0264  -22.6210
            17  N1y N    25.2368  -21.9155
            18  C1x C    25.3010  -20.5087
            19  C1x C    24.0148  -19.8133
            20  C1b C    26.4465  -22.6072
            21  C5a C    27.6235  -21.9212
            22  N1b N    28.8269  -22.6095
            23  O5a O    27.6178  -20.5251
            24  C8y C    30.0060  -21.9225
            25  C8y C    31.2081  -22.6103
            26  C8x C    32.4187  -21.9051
            27  C8x C    32.4132  -20.5040
            28  C8x C    31.2110  -19.8162
            29  C8y C    30.0005  -20.5214
            30  C1a C    28.7748  -19.8201
            31  C1a C    31.2140  -24.0270
            32  X   Cl   35.8409  -21.3505
            33  X   Cl   35.8409  -21.3505
BOND        33
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11   11  12 1
            12   11  13 1
            13   12  14 1
            14    8   9 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   17  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   22  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   29  30 1
            33   25  31 1
BRACKET     1    34.0900  -22.2600   34.0900  -20.2300
            1    36.7500  -20.2300   36.7500  -22.2600
            1  2
 ORIGINAL  1   32
 REPEAT    1   33

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