KEGG   DRUG: ZileutonHelp
Entry
D00414                      Drug                                   

Name
Zileuton (USP/INN);
Zyflo (TN)
Product
  Generic
Formula
C11H12N2O2S
Exact mass
236.0619
Mol weight
236.2902
Structure
Mol fileKCF fileDB search
Remark
Product: D00414<US>
Efficacy
Antiasthmatic, Arachidonate 5-lipoxygenase inhibitor
  Disease
Asthma [DS:H00079]
Target
ALOX5 [HSA:240] [KO:K00461]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antileukotrienes
   Zileuton
    D00414  Zileuton (USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dioxygenases
    ALOX5
     D00414  Zileuton (USP/INN) <US>
BRITE hierarchy
Other DBs
CAS: 111406-87-2
PubChem: 7847480
ChEBI: 10112
ChEMBL: CHEMBL93
DrugBank: DB00744
LigandBox: D00414
NIKKAJI: J369.927G
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    24.7273  -18.3637
            2   C1c C    25.9335  -19.0570
            3   C8x C    23.9057  -17.2215
            4   S2x S    23.8998  -19.4940
            5   N1c N    27.1454  -18.3637
            6   C1a C    25.9335  -20.4614
            7   C8y C    22.5713  -17.6527
            8   C8y C    22.5655  -19.0570
            9   C5a C    28.3576  -19.0570
            10  O1b O    27.1454  -16.9592
            11  C8x C    21.3593  -16.9535
            12  C8x C    21.3593  -19.7562
            13  N1a N    29.5637  -18.3637
            14  O5a O    28.3576  -20.4614
            15  C8x C    20.1474  -17.6527
            16  C8x C    20.1474  -19.0512
BOND        17
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    8  12 2
            12    9  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 1
            16    7   8 1
            17   15  16 2

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