KEGG   DRUG: D03210Help
Entry
D03210                      Drug                                   

Name
Ancriviroc (USAN/INN)
Formula
C28H37BrN4O3
Exact mass
556.2049
Mol weight
557.5224
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral;
Treatment of autoimmune conditions [CCR5 antagonist]
Target
chemokine receptor 5 (CCR5) antagonist [HSA:1234] [KO:K04180]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04144  Endocytosis  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A2a receptor
     Ancriviroc
      D03210  Ancriviroc (USAN/INN)
 Cytokine receptors
  Chemokine receptors
   chemokine receptor 5 (CCR5)
    Ancriviroc
     D03210  Ancriviroc (USAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agent
   Entry / fusion inhibitor
    chemokine receptor 5 inhibitor(CCR5) antagonist
     Ancriviroc
      D03210  Ancriviroc (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
370893-06-4
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        36
            1   C8x C    32.9700  -20.0900
            2   C8x C    32.9700  -18.6900
            3   C8y C    34.2300  -17.9900
            4   C8y C    35.4200  -18.6900
            5   C8y C    35.4200  -20.0900
            6   N4y N    34.2300  -20.7900
            7   C5a C    36.6100  -17.9900
            8   N1y N    37.8700  -18.6900
            9   C1x C    37.8700  -20.0900
            10  C1a C    36.6100  -20.7900
            11  C1x C    39.0600  -17.9900
            12  C1x C    40.2500  -18.6900
            13  C1z C    40.2500  -20.0900
            14  C1x C    39.0600  -20.7900
            15  O3a O    34.2300  -22.1900
            16  O5a O    36.6100  -16.5900
            17  C1a C    34.2300  -16.5900
            18  N1y N    41.5100  -20.7900
            19  C1x C    42.7000  -20.0900
            20  C1x C    43.8900  -20.7900
            21  C1y C    43.8900  -22.1900
            22  C1x C    42.7000  -22.8900
            23  C1x C    41.5100  -22.1900
            24  C2c C    45.1500  -22.8900
            25  C8y C    46.3400  -22.1900
            26  N2b N    45.1500  -24.2900
            27  O2a O    46.3400  -24.9900
            28  C8x C    46.3400  -20.7900
            29  C8x C    47.5300  -20.0900
            30  C8y C    48.7900  -20.7900
            31  C8x C    48.7900  -22.1900
            32  C8x C    47.5300  -22.8900
            33  X   Br   49.9800  -20.0900
            34  C1a C    41.5100  -19.3900
            35  C1b C    47.5300  -24.2900
            36  C1a C    48.7200  -24.9900
BOND        39
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16    6  15 2
            17    7  16 2
            18    3  17 1
            19   13  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   26  27 1
            30   25  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   25  32 1
            36   30  33 1
            37   13  34 1
            38   27  35 1
            39   35  36 1

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