KEGG   DRUG: Tibenelast sodiumHelp
Entry
D06132                      Drug                                   

Name
Tibenelast sodium (USAN)
Formula
C13H13O4S. Na
Exact mass
288.0432
Mol weight
288.2947
Structure
Mol fileKCF fileDB searchJmolKegDraw
Efficacy
Antiasthmatic, Bronchodilator
Target
  Pathway
hsa00230  Purine metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE
     D06132  Tibenelast sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 105102-18-9
PubChem: 47207790
ChEMBL: CHEMBL2107210
LigandBox: D06132
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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