KEGG   DRUG: Atreleuton
Entry
D03010                      Drug                                   

Name
Atreleuton (USAN/INN)
Formula
C16H15FN2O2S
Exact mass
318.0838
Mol weight
318.3659
Structure
Efficacy
Antiasthmatic, Arachidonate 5-lipoxygenase inhibitor
Target
ALOX5 [HSA:240] [KO:K00461]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dioxygenases
    ALOX5
     D03010  Atreleuton (USAN/INN)
Other DBs
CAS: 154355-76-7
PubChem: 17397166
ChEMBL: CHEMBL59356
LigandBox: D03010
NIKKAJI: J710.520G
LinkDB
KCF data

ATOM        22
            1   C8x C    13.4400  -17.5000
            2   C8y C    13.4400  -18.9000
            3   C8x C    14.6524  -19.6000
            4   C8x C    15.8649  -18.9000
            5   C8y C    15.8649  -17.5000
            6   C8x C    14.6524  -16.8000
            7   C8x C    18.2897  -18.9000
            8   C8y C    18.2897  -17.5000
            9   C1b C    17.0773  -16.8000
            10  C8x C    19.6212  -19.3326
            11  C8y C    20.4441  -18.2000
            12  S2x S    19.6212  -17.0674
            13  X   F    12.2276  -19.6000
            14  C3b C    21.8400  -18.2000
            15  C3b C    23.2400  -18.2000
            16  C1c C    24.6400  -18.2000
            17  C1a C    25.3400  -16.9876
            18  N1c N    25.3400  -19.4124
            19  C5a C    26.7400  -19.4124
            20  O5a O    27.4400  -18.2000
            21  O1b O    24.6400  -20.6249
            22  N1a N    27.4400  -20.6249
BOND        23
            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     7   8 2
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 2
            12   11  12 1
            13    8  12 1
            14    2  13 1
            15   11  14 1
            16   14  15 3
            17   15  16 1
            18   16  17 1
            19   18  19 1
            20   19  20 2
            21   18  21 1
            22   22  19 1
            23   16  18 1 #Up

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