KEGG   DRUG: Ivabradine
Entry
D07165                      Drug                                   
Name
Ivabradine (USAN/INN)
Formula
C27H36N2O5
Exact mass
468.2624
Mol weight
468.58
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: C01EB17
Chemical structure group: DG00246
Product (DG00246): D08095<JP/US>
Efficacy
Cardiotonic
Target
HCN [HSA:348980 610 57657 10021] [KO:K04954 K04955 K04956 K04957]
  Pathway
hsa04024  cAMP signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB17 Ivabradine
      D07165  Ivabradine (USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00246  Ivabradine
     D07165  Ivabradine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Other ion channels
   Hyperpolarization-activated ion channel
    HCN
     D07165  Ivabradine (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07165
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07165
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00246  Ivabradine
Other DBs
CAS: 155974-00-8
PubChem: 51091504
ChEBI: 85966
LigandBox: D07165
NIKKAJI: J582.018I
LinkDB
KCF data

ATOM        34
            1   C8y C    35.1428  -20.0452
            2   C8y C    35.1428  -18.6423
            3   C8x C    33.9503  -17.9408
            4   C8y C    32.6876  -18.6423
            5   C8y C    32.6876  -20.0452
            6   C8x C    33.9503  -20.7467
            7   C1y C    31.2846  -18.6423
            8   C1x C    31.2846  -20.0452
            9   O2a O    36.3353  -20.7467
            10  O2a O    36.3353  -17.9408
            11  C1b C    30.1623  -17.8005
            12  N1c N    28.9698  -18.5020
            13  C1b C    27.7773  -17.8005
            14  C1a C    28.9698  -19.9049
            15  C1a C    37.5278  -18.6423
            16  C1a C    37.5278  -20.0452
            17  C1b C    26.5848  -18.5020
            18  C1b C    25.3922  -17.8005
            19  N1y N    24.1997  -18.5020
            20  C8y C    21.1132  -17.8005
            21  C1x C    22.2356  -16.8886
            22  C5x C    23.5684  -17.2393
            23  C8y C    21.1132  -19.2035
            24  C1x C    23.5684  -19.7646
            25  C1x C    22.2356  -20.0452
            26  O5x O    24.4530  -16.1504
            27  C8x C    19.8983  -17.0990
            28  C8y C    18.6832  -17.8005
            29  C8y C    18.6832  -19.2035
            30  C8x C    19.8983  -19.9049
            31  O2a O    17.4495  -17.0880
            32  C1a C    16.2418  -17.7852
            33  O2a O    17.4495  -19.9160
            34  C1a C    16.2418  -19.2188
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     5   8 1
            10    1   9 1
            11    2  10 1
            12    7  11 1 #Down
            13   11  12 1
            14   12  13 1
            15   12  14 1
            16   10  15 1
            17    9  16 1
            18   13  17 1
            19   17  18 1
            20   18  19 1
            21   22  19 1
            22   20  23 1
            23   19  24 1
            24   21  22 1
            25   23  25 1
            26   20  21 1
            27   24  25 1
            28   22  26 2
            29   20  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   23  30 2
            34   28  31 1
            35   31  32 1
            36   29  33 1
            37   33  34 1

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