KEGG   DRUG: RanolazineHelp
Entry
D05700                      Drug                                   

Name
Ranolazine (USAN/INN);
Ranexa (TN)
Product
  Generic
Formula
C24H33N3O4
Exact mass
427.2471
Mol weight
427.5365
Structure
Mol fileKCF fileDB search
Simcomp 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
  Disease
Chronic angina [DS:H01632]
Comment
Treatment of chronic angina
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB18 Ranolazine
      D05700  Ranolazine (USAN/INN) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Cardiovascular Agents, Other
   Ranolazine
    D05700  Ranolazine (USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05700
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05700
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05700
BRITE hierarchy
Other DBs
CAS: 95635-55-5
PubChem: 47207361
ChEBI: 87681
ChEMBL: CHEMBL1404
DrugBank: DB00243
LigandBox: D05700
NIKKAJI: J507.863F
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    22.9497  -20.5107
            2   C8y C    21.7380  -21.2097
            3   O2a O    24.1672  -21.2097
            4   C8x C    22.9497  -19.1126
            5   C8x C    20.5262  -20.5107
            6   O2a O    21.7438  -22.6078
            7   C1b C    25.3730  -20.5107
            8   C8x C    21.7380  -18.4078
            9   C8x C    20.5262  -19.1126
            10  C1a C    20.5262  -23.3185
            11  C1c C    26.5848  -21.2097
            12  C1b C    27.8021  -20.5107
            13  O1a O    26.5848  -22.6078
            14  N1y N    29.0140  -21.2038
            15  C1x C    28.9498  -22.6094
            16  C1x C    30.2351  -23.3044
            17  N1y N    31.4446  -22.5994
            18  C1x C    31.4388  -21.1937
            19  C1x C    30.2235  -20.4988
            20  C1b C    32.6534  -23.2907
            21  C5a C    33.8296  -22.6051
            22  N1b N    35.0321  -23.2930
            23  O5a O    33.8239  -21.2101
            24  C8y C    36.2104  -22.6064
            25  C8y C    37.4117  -23.2938
            26  C8x C    38.6214  -22.5890
            27  C8x C    38.6159  -21.1890
            28  C8x C    37.4146  -20.5017
            29  C8y C    36.2049  -21.2064
            30  C1a C    34.9801  -20.5056
            31  C1a C    37.3476  -24.7095
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

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