KEGG   DRUG: TicrynafenHelp
Entry
D02386                      Drug                                   

Name
Ticrynafen (USAN);
Tienilic acid (INN);
Selacryn (TN)
Formula
C13H8Cl2O4S
Exact mass
329.952
Mol weight
331.1712
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C11702
ATC code: C03CC02
Efficacy
Antihypertensive, Diuretic, Uricosuric, Na-K-Cl cotransporter inhibitor
Comment
loop diuretic
Aryloxyacetic acid derivative
Target
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
SLC12A2 (NKCC1) [HSA:6558] [KO:K10951]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03C HIGH-CEILING DIURETICS
    C03CC Aryloxyacetic acid derivatives
     C03CC02 Tienilic acid
      D02386  Ticrynafen (USAN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D02386  Ticrynafen (USAN)
    SLC12A2 (NKCC1)
     D02386  Ticrynafen (USAN)
BRITE hierarchy
Other DBs
CAS: 40180-04-9
PubChem: 7849445
ChEBI: 9590
ChEMBL: CHEMBL267744
DrugBank: DB04831
LigandBox: D02386
NIKKAJI: J16.869F
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    30.5239  -16.7329
            2   C8y C    30.5239  -18.1333
            3   C8x C    31.7366  -18.8335
            4   C8x C    32.9494  -18.1333
            5   C8y C    32.9494  -16.7329
            6   C8y C    31.7366  -16.0327
            7   X   Cl   31.7366  -14.6325
            8   X   Cl   29.3111  -16.0327
            9   O2a O    29.3111  -18.8335
            10  C1b C    28.1153  -18.1429
            11  C6a C    26.9275  -18.8286
            12  O6a O    25.7360  -18.1404
            13  O6a O    26.9273  -20.2337
            14  C5a C    34.1809  -16.0217
            15  C8y C    35.3864  -16.7176
            16  O5a O    34.1806  -14.6324
            17  C8x C    35.3900  -18.1262
            18  C8x C    36.7335  -18.5605
            19  C8x C    37.5618  -17.4170
            20  S2x S    36.7301  -16.2759
BOND        21
            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     6   7 1
            8     1   8 1
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14    5  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   15  20 1

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