KEGG   DRUG: Elubrixin
Entry
D10332                      Drug                                   
Name
Elubrixin (USAN)
Formula
C17H17Cl2FN4O4S
Exact mass
462.0332
Mol weight
463.3107
Structure
Remark
Chemical structure group: DG01371
Efficacy
Anti-inflammatory, Chemokine (C-X-C motif) receptor 2 antagonist
Comment
Treatment of cystic fibrosis, COPD
Target
CXCR2 (IL8RB, CD182) [HSA:3579] [KO:K05050]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04062  Chemokine signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Cytokine receptors
   Chemokine receptors
    CXCR2 (IL8RB, CD182)
     D10332  Elubrixin (USAN)
Other DBs
CAS: 688763-64-6
PubChem: 172232426
LinkDB
KCF data

ATOM        29
            1   N1x N    11.3400  -17.1500
            2   C1x C    11.3400  -18.5500
            3   C1x C    12.5524  -19.2500
            4   N1y N    13.7649  -18.5500
            5   C1x C    13.7649  -17.1500
            6   C1x C    12.5524  -16.4500
            7   S4a S    14.9773  -19.2500
            8   C8y C    16.1897  -18.5500
            9   C8y C    16.1897  -17.1500
            10  X   Cl   14.9773  -16.4500
            11  C8y C    17.4022  -19.2500
            12  C8y C    18.6146  -18.5500
            13  C8x C    18.6146  -17.1500
            14  C8x C    17.4022  -16.4500
            15  N1b N    19.8270  -19.2500
            16  C5a C    21.0395  -18.5500
            17  O5a O    21.0395  -17.1500
            18  N1b N    22.2519  -19.2500
            19  C8y C    23.4644  -18.5500
            20  C8y C    23.4644  -17.1500
            21  X   Cl   22.2519  -16.4500
            22  C8x C    24.6768  -19.2500
            23  C8x C    25.8892  -18.5500
            24  C8x C    25.8892  -17.1500
            25  C8y C    24.6768  -16.4500
            26  O1a O    17.4022  -20.6497
            27  X   F    24.6768  -15.0504
            28  O3c O    14.0673  -20.4400
            29  O3c O    15.9024  -20.3031
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 2
            16   12  15 1
            17   15  16 1
            18   16  17 2
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   19  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   20  25 2
            28   11  26 1
            29   25  27 1
            30    7  28 2
            31    7  29 2

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