KEGG   DRUG: TepoxalinHelp
Entry
D06075                      Drug                                   

Name
Tepoxalin (USAN/INN)
Formula
C20H20ClN3O3
Exact mass
385.1193
Mol weight
385.8441
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C18362
Efficacy
Antipsoriatic
Target
ALOX5 [HSA:240] [KO:K00461]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dioxygenases
    ALOX5
     D06075  Tepoxalin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 103475-41-8
PubChem: 47207733
ChEBI: 76277
ChEMBL: CHEMBL316040
LigandBox: D06075
NIKKAJI: J357.517I
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    31.7270  -19.5007
            2   C8y C    31.3260  -18.1477
            3   C8y C    33.1273  -19.5406
            4   N5x N    33.5980  -18.2213
            5   N4y N    32.4886  -17.3659
            6   C8y C    32.4587  -15.9632
            7   C8x C    33.7615  -15.2976
            8   C8x C    33.7317  -13.8925
            9   C8y C    32.5348  -13.1552
            10  C8x C    31.3020  -13.8208
            11  C8x C    31.2619  -15.2259
            12  O2a O    32.5743  -11.7638
            13  C1a C    33.7828  -11.1110
            14  C1b C    33.9160  -20.6936
            15  C1b C    35.3159  -20.7266
            16  C8y C    30.1109  -17.4457
            17  C8x C    28.8953  -18.1469
            18  C8x C    30.1114  -16.0423
            19  C8x C    28.8963  -15.3403
            20  C8y C    27.6807  -16.0414
            21  C8x C    27.6802  -17.4448
            22  C1a C    38.0669  -20.5967
            23  X   Cl   26.4978  -15.3583
            24  C5a C    36.0536  -21.9303
            25  N1c N    37.4536  -21.9303
            26  O5a O    35.3773  -23.1378
            27  O1b O    38.1440  -23.1259
BOND        29
            1     1   2 2
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     2   5 1
            6     5   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    6  11 1
            13    9  12 1
            14   12  13 1
            15    3  14 1
            16   14  15 1
            17    2  16 1
            18   16  17 1
            19   16  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   17  21 2
            24   20  23 1
            25   15  24 1
            26   24  25 1
            27   24  26 2
            28   25  27 1
            29   25  22 1

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