Pleconaril


Entry
D05528                      Drug                                   
Name
Pleconaril (USAN/INN)
Formula
C18H18F3N3O3
Exact mass
381.13
Mol weight
381.349
Structure
Remark
ATC code: J05AX06
Efficacy
Antiviral
Target
Human rhinovirus VP1
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AX Other antivirals
     J05AX06 Pleconaril
      D05528  Pleconaril (USAN/INN)
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   Enterovirus VP1
    D05528  Pleconaril (USAN/INN)
Other DBs
CAS: 153168-05-9
PubChem: 47207194
PDB-CCD: W11[PDBj]
LigandBox: D05528
NIKKAJI: J642.592E
KCF data

ATOM        27
            1   C8y C    15.7500  -16.7300
            2   C8x C    15.7500  -15.3300
            3   C8y C    16.9400  -14.6300
            4   C8y C    18.1300  -15.3300
            5   C8y C    18.1300  -16.7300
            6   C8x C    16.9400  -17.4300
            7   C1a C    19.3900  -17.5000
            8   O2a O    19.3900  -14.6300
            9   C1a C    16.9400  -13.2300
            10  C1b C    20.5800  -15.3300
            11  C8y C    14.4900  -17.4300
            12  N5x N    14.4900  -18.8300
            13  O2x O    13.1600  -19.3200
            14  C8y C    12.3200  -18.1300
            15  N5x N    13.1600  -17.0100
            16  C1d C    10.9200  -18.1300
            17  X   F     9.5900  -18.1300
            18  X   F    10.9900  -16.8000
            19  X   F    10.9200  -19.5300
            20  C1b C    21.7700  -14.6300
            21  C1b C    22.9600  -15.3300
            22  C8y C    24.1500  -14.6300
            23  O2x O    24.1500  -13.2300
            24  N5x N    25.4800  -12.8100
            25  C8y C    26.3200  -13.9300
            26  C8x C    25.4800  -15.1200
            27  C1a C    27.7200  -13.9300
BOND        29
            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     5   7 1
            8     4   8 1
            9     3   9 1
            10    8  10 1
            11    1  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   11  15 1
            17   14  16 1
            18   16  17 1
            19   16  18 1
            20   16  19 1
            21   10  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   22  26 2
            29   25  27 1