KEGG   DRUG: Eplerenone
Entry
D01115                      Drug                                   
Name
Eplerenone (JP18/USAN/INN);
Inspra (TN)
Product
  Generic
Formula
C24H30O6
Exact mass
414.2042
Mol weight
414.49
Structure
Simcomp
Class
Cardiovascular agent
 DG03231  Antihypertensive
  DG01676  Aldosterone antagonist
 DG01885  Potassium-sparing diuretic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C12512
Therapeutic category: 2149
ATC code: C03DA04
Product: D01115<JP/US>
Efficacy
Antihypertensive, Aldosterone antagonist
  Disease
Hypertension [DS:H01633]
Comment
Spironolactone derivative
Target
NR3C2 (MR) [HSA:4306] [KO:K08555]
  Pathway
hsa04960  Aldosterone-regulated sodium reabsorption
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03D ALDOSTERONE ANTAGONISTS AND OTHER POTASSIUM-SPARING AGENTS
    C03DA Aldosterone antagonists
     C03DA04 Eplerenone
      D01115  Eplerenone (JP18/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Mineralocorticoid Receptor Antagonist
   Eplerenone
    D01115  Eplerenone (JP18/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01115  Eplerenone (JP18/USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG03231  Antihypertensive
   DG01676  Aldosterone antagonist
    D01115  Eplerenone
  DG01885  Potassium-sparing diuretic
   D01115  Eplerenone
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D01115  Eplerenone
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01676  Aldosterone antagonist
   D01115  Eplerenone
  DG03231  Antihypertensive
   D01115  Eplerenone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D01115  Eplerenone (JP18/USAN/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01115  Eplerenone
  D01115  Eplerenone tablets
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01115
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01115
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01115
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01115
Other DBs
CAS: 107724-20-9
PubChem: 7848178
ChEBI: 31547
PDB-CCD: YNU[PDBj]
LigandBox: D01115
NIKKAJI: J835.298D
LinkDB
KCF data

ATOM        30
            1   C1z C    25.7600  -21.4200
            2   C1z C    24.5000  -22.1200
            3   C1x C    26.8800  -22.1200
            4   O7x O    26.8800  -20.6500
            5   C1x C    24.6400  -20.6500
            6   C1y C    24.5000  -23.4500
            7   C1x C    23.3800  -21.4200
            8   C1a C    23.8700  -20.5800
            9   C1x C    26.8800  -23.4500
            10  C7x C    26.4600  -19.3200
            11  C1x C    25.0600  -19.3200
            12  C1y C    23.3800  -24.1500
            13  C1y C    22.1900  -22.1200
            14  O6a O    27.2300  -18.2700
            15  C1z C    22.1900  -23.4500
            16  C1y C    23.3800  -25.5500
            17  C1z C    21.0000  -24.1500
            18  C1x C    22.1900  -26.1800
            19  C7a C    24.5000  -26.1800
            20  C2y C    21.0000  -25.4800
            21  C1x C    19.8100  -23.4500
            22  C1a C    21.0000  -22.7500
            23  O7a O    25.6900  -25.5500
            24  C2x C    19.8100  -26.1800
            25  C1x C    18.6200  -24.1500
            26  C1a C    26.8800  -26.1800
            27  C5x C    18.6200  -25.4800
            28  O5x O    17.4300  -26.1800
            29  O6a O    24.5000  -27.5800
            30  O2x O    23.4024  -22.8200
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   10  14 2
            14   12  15 1
            15   12  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   17  21 1
            21   17  22 1 #Up
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 2
            28    6   9 1
            29   10  11 1
            30   13  15 1
            31   18  20 1
            32   25  27 1
            33   19  29 2
            34   13  30 1 #Down
            35   15  30 1 #Down

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