KEGG   DRUG: Dicirenone
Entry
D03792                      Drug                                   

Name
Dicirenone (USAN)
Formula
C26H36O5
Exact mass
428.2563
Mol weight
428.561
Structure
Simcomp
Class
Cardiovascular agent
 DG01676  Aldosterone antagonist
Efficacy
Antihypertensive, Aldosterone antagonist
Comment
Spironolactone derivative
Target
NR3C2 (MR) [HSA:4306] [KO:K08555]
  Pathway
hsa04960  Aldosterone-regulated sodium reabsorption
Interaction
Structure map
map07225  Glucocorticoid and mineralocorticoid receptor agonists/antagonists
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01676  Aldosterone antagonist
   D03792  Dicirenone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D03792  Dicirenone (USAN)
Other DBs
CAS: 41020-79-5
PubChem: 17397880
ChEBI: 177715
ChEMBL: CHEMBL2106258
LigandBox: D03792
NIKKAJI: J32.843J
LinkDB
KCF data

ATOM        31
            1   C1z C    26.1100  -22.1200
            2   C1z C    24.8500  -22.8200
            3   C1x C    27.2300  -22.8200
            4   O7x O    27.2300  -21.3500
            5   C1x C    24.9900  -21.3500
            6   C1y C    24.8500  -24.1500
            7   C1x C    23.7300  -22.1200
            8   C1a C    24.2200  -21.2800
            9   C1x C    27.2300  -24.1500
            10  C7x C    26.8100  -20.0200
            11  C1x C    25.4100  -20.0200
            12  C1y C    23.7300  -24.8500
            13  C1x C    22.5400  -22.8200
            14  O6a O    27.5800  -18.9700
            15  C1y C    22.5400  -24.1500
            16  C1y C    23.7300  -26.2500
            17  C1z C    21.3500  -24.8500
            18  C1x C    22.5400  -26.8800
            19  C7a C    24.8500  -26.8800
            20  C2y C    21.3500  -26.1800
            21  C1x C    20.1600  -24.1500
            22  C1a C    21.3500  -23.4500
            23  O7a O    26.0400  -26.2500
            24  C2x C    20.1600  -26.8800
            25  C1x C    18.9700  -24.8500
            26  C1c C    27.2300  -26.8800
            27  C5x C    18.9700  -26.1800
            28  O5x O    17.7800  -26.8800
            29  O6a O    24.8322  -28.2799
            30  C1a C    28.4159  -26.1360
            31  C1a C    27.2114  -28.2791
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            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   26  30 1
            35   26  31 1

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