KEGG   DRUG: Ivabradine hydrochloride
Entry
D08095                      Drug                                   
Name
Ivabradine hydrochloride (JAN/USAN);
Ivabrandine hydrochloride;
Corlanor (TN);
Corlentor (TN);
Coralan (TN)
Product
CORLANOR (Amgen)
Formula
C27H36N2O5. HCl
Exact mass
504.2391
Mol weight
505.0461
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2190
ATC code: C01EB17
Chemical structure group: DG00246
Product (DG00246): D08095<JP/US>
Efficacy
Cardiotonic, HCN channel blocker
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
      D08095  Ivabradine hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Cardiovascular Agents, Other
   Ivabradine
    D08095  Ivabradine hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D08095  Ivabradine hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00246  Ivabradine
     D08095  Ivabradine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Other ion channels
   Hyperpolarization-activated ion channel
    HCN
     D08095  Ivabradine hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08095
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08095
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08095
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08095
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08095
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00246  Ivabradine
Other DBs
CAS: 148849-67-6
PubChem: 96024785
ChEBI: 85969
LigandBox: D08095
LinkDB
KCF data

ATOM        35
            1   C8y C    32.4100  -19.5300
            2   C8y C    32.4100  -18.1300
            3   C8x C    31.2200  -17.4300
            4   C8y C    29.9600  -18.1300
            5   C8y C    29.9600  -19.5300
            6   C8x C    31.2200  -20.2300
            7   C1y C    28.5600  -18.1300
            8   C1x C    28.5600  -19.5300
            9   O2a O    33.6000  -20.2300
            10  O2a O    33.6000  -17.4300
            11  C1b C    27.4400  -17.2900
            12  N1c N    26.2500  -17.9900
            13  C1b C    25.0600  -17.2900
            14  C1a C    26.2500  -19.3900
            15  C1a C    34.7900  -18.1300
            16  C1a C    34.7900  -19.5300
            17  C1b C    23.8700  -17.9900
            18  C1b C    22.6800  -17.2900
            19  N1y N    21.4900  -17.9900
            20  C8y C    18.4100  -17.2900
            21  C1x C    19.5300  -16.3800
            22  C5x C    20.8600  -16.7300
            23  C8y C    18.4100  -18.6900
            24  C1x C    20.8600  -19.2500
            25  C1x C    19.5300  -19.5300
            26  O5x O    21.7000  -15.6800
            27  C8x C    17.1500  -16.5900
            28  C8y C    15.9600  -17.2900
            29  C8y C    15.9600  -18.6900
            30  C8x C    17.1500  -19.3900
            31  O2a O    14.7000  -16.5900
            32  C1a C    13.5100  -17.2900
            33  O2a O    14.7000  -19.4600
            34  C1a C    13.5100  -18.7600
            35  X   Cl   26.0400  -13.6500
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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