KEGG   DRUG: Quinethazone
Entry
D00461                      Drug                                   
Name
Quinethazone (JAN/INN);
Hydromox (TN)
Formula
C10H12ClN3O3S
Exact mass
289.0288
Mol weight
289.7386
Structure
Simcomp
Class
Cardiovascular agent
 DG03231  Antihypertensive
  DG02992  Thiazide related diuretic
 DG01690  Sulfonamide diuretic
  DG02992  Thiazide related diuretic
Remark
Same as: C07342
ATC code: C03BA02
Efficacy
Diuretic, Na+-Cl- symport inhibitor
Comment
Sulfonamide derivative
Target
SLC12A3 (TSC) [HSA:6559] [KO:K14426]
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
Interaction
Structure map
map07017  Sulfonamide derivatives - diuretics
map07233  Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03B LOW-CEILING DIURETICS, EXCL. THIAZIDES
    C03BA Sulfonamides, plain
     C03BA02 Quinethazone
      D00461  Quinethazone (JAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG03231  Antihypertensive
   DG02992  Thiazide related diuretic
    D00461  Quinethazone
  DG01690  Sulfonamide diuretic
   DG02992  Thiazide related diuretic
    D00461  Quinethazone
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D00461  Quinethazone (JAN/INN)
    SLC12A3 (TSC)
     D00461  Quinethazone (JAN/INN)
Other DBs
CAS: 73-49-4
PubChem: 7847527
ChEBI: 8717
LigandBox: D00461
NIKKAJI: J1.429J
KCF data

ATOM        18
            1   C8y C    25.3928  -19.8397
            2   C8y C    25.3928  -18.4507
            3   N1x N    26.6008  -20.5341
            4   C8x C    24.1788  -20.5341
            5   C8x C    24.1788  -17.7504
            6   C5x C    26.6008  -17.7504
            7   C1y C    27.8088  -19.8397
            8   C8y C    22.9650  -19.8397
            9   C8y C    22.9650  -18.4507
            10  N1x N    27.8088  -18.4507
            11  O5x O    26.6008  -16.3322
            12  C1b C    29.0343  -20.5341
            13  X   Cl   21.7453  -20.5341
            14  S4a S    21.7453  -17.7504
            15  C1a C    30.2423  -19.8221
            16  N1a N    20.5315  -17.0442
            17  O3c O    21.0450  -18.9642
            18  O3c O    22.4515  -16.5307
BOND        19
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   14  18 2
            18    7  10 1
            19    8   9 1

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