KEGG   DRUG: Flavoxate
Entry
D07961                      Drug                                   
Name
Flavoxate (INN);
Bladuril (TN)
Formula
C24H25NO4
Exact mass
391.1784
Mol weight
391.46
Structure
Simcomp
Remark
Same as: C07809
ATC code: G04BD02
Chemical structure group: DG00477
Product (DG00477): D00718<JP/US>
Efficacy
Antipollakisuria, Phosphodiesterase inhibitor
Target
PDE [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K18438 K18436 K13298 K13755 K18283 K19021 K13296 K13293 K18437]
  Pathway
hsa04024  cAMP signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BD Drugs for urinary frequency and incontinence
     G04BD02 Flavoxate
      D07961  Flavoxate (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Flavoxate
    D07961  Flavoxate (INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Flavoxate
    D07961  Flavoxate (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D07961  Flavoxate (INN)
Other DBs
CAS: 15301-69-6
PubChem: 96024656
ChEBI: 5088
PDB-CCD: HWL[PDBj]
LigandBox: D07961
NIKKAJI: J8.545F
LinkDB
KCF data

ATOM        29
            1   C8x C    23.5200  -17.0800
            2   C8x C    23.5200  -18.4800
            3   C8x C    24.7100  -19.1800
            4   C8y C    25.9700  -18.4800
            5   C8y C    25.9700  -17.0800
            6   C8y C    24.7100  -16.3100
            7   C8y C    27.1600  -19.1800
            8   C8y C    28.4200  -18.4800
            9   C8y C    28.4200  -17.0800
            10  O2x O    27.1600  -16.3100
            11  C8y C    29.6100  -16.3100
            12  C8x C    30.8000  -17.0800
            13  C8x C    31.9900  -16.3100
            14  C8x C    31.9900  -14.9100
            15  C8x C    30.8000  -14.2100
            16  C8x C    29.6100  -14.9100
            17  O5x O    27.1600  -20.5800
            18  C1a C    29.6266  -19.1900
            19  C7a C    24.6920  -14.9101
            20  O7a O    23.4844  -14.2334
            21  O6a O    25.9086  -14.1866
            22  C1b C    22.2666  -14.9580
            23  C1b C    21.0495  -14.2766
            24  N1y N    19.8602  -14.9845
            25  C1x C    18.6518  -14.3080
            26  C1x C    17.4487  -15.0239
            27  C1x C    17.4672  -16.4238
            28  C1x C    18.6756  -17.1003
            29  C1x C    19.8787  -16.3844
BOND        32
            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     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    7  17 2
            20    8  18 1
            21    6  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   24  29 1

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