KEGG   DRUG: D06132Help
Entry
D06132                      Drug                                   

Name
Tibenelast sodium (USAN)
Formula
C13H13O4S. Na
Exact mass
288.0432
Mol weight
288.2947
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-asthmatic;
Bronchodilator [DS:H00079]
Target
phosphodiesterase (PDE) inhibitor [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K01120 K13298 K13755 K18283 K13296]
  Pathway
hsa00230  Purine metabolism  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   phosphodiesterase (PDE)
    Tibenelast
     D06132  Tibenelast sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
105102-18-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        19
            1   C8y C    11.8300  -17.2200
            2   C8y C    11.8300  -18.6200
            3   C8x C    13.0424  -19.3200
            4   C8y C    14.2549  -18.6200
            5   C8y C    14.2549  -17.2200
            6   C8x C    13.0424  -16.5200
            7   C8x C    15.5864  -19.0526
            8   C8y C    16.4093  -17.9200
            9   S2x S    15.5864  -16.7874
            10  O2a O    10.6176  -16.5200
            11  C1b C     9.4221  -17.2104
            12  C1a C     8.2347  -16.5249
            13  O2a O    10.6176  -19.3200
            14  C1b C     9.4221  -18.6296
            15  C1a C     8.2347  -19.3151
            16  C6a C    17.7800  -17.9200
            17  O6a O    18.4800  -19.1324 #-
            18  O6a O    18.4800  -16.7076
            19  Z   Na   20.5100  -19.1100 #+
BOND        19
            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 2
            9     8   9 1
            10    5   9 1
            11    1  10 1
            12   10  11 1
            13   11  12 1
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17    8  16 1
            18   16  17 1
            19   16  18 2

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