KEGG   DRUG: Ivabradine
Entry
D07165                      Drug                                   
Name
Ivabradine (USAN/INN)
Formula
C27H36N2O5
Exact mass
468.2624
Mol weight
468.5851
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
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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Ontology (5)   
   KEGG BRITE (5)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (8)   
   KEGG ORTHOLOGY (4)   
   KEGG GENES (4)   
All databases (18)   

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