KEGG   DRUG: D06670Help
Entry
D06670                      Drug                                   

Name
Maraviroc (JAN/INN);
Selzentry (TN)
Product
Formula
C29H41F2N5O
Exact mass
513.3279
Mol weight
513.6655
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antivirals [DS:H00406]
Remark
Therapeutic category: 
ATC code: 
Comment
Use for treatment of adults infected with only CCR5-tropic HIV-1
Target
chemokine receptor 5 (CCR5) antagonist [HSA:1234] [KO:K04180]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04062  Chemokine signaling pathway
hsa04144  Endocytosis  
 
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243]
Interaction
Genomic biomarker: CCR5-tropic HIV-1
Drug interaction
Structure map
Anti-HIV agents
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
     J05AX09 Maraviroc
      D06670  Maraviroc (JAN/INN)
USP drug classification [BR:br08302]
 Antivirals
  Anti-HIV Agents, Other
   Maraviroc
    D06670  Maraviroc (JAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D06670  Maraviroc (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Chemokine receptors
   chemokine receptor 5 (CCR5)
    Maraviroc
     D06670  Maraviroc (JAN/INN)
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HIV agents
   Entry / fusion inhibitor
    chemokine receptor 5 inhibitor(CCR5) antagonist
     Maraviroc
      D06670  Maraviroc (JAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP3A
   Maraviroc
    D06670  Maraviroc (JAN/INN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    D06670  Maraviroc (INN)
BRITE hierarchy
Other DBs
CAS: 
376348-65-1
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        37
            1   C1x C    38.1872  -40.8344
            2   C1x C    38.5234  -39.6913
            3   C1y C    39.3302  -40.5655
            4   C1y C    39.6664  -39.4224
            5   N1y N    38.4561  -38.1448
            6   C1x C    41.1456  -40.5655
            7   C1x C    40.8766  -39.4224
            8   C1y C    42.1541  -41.1034
            9   C1b C    37.2458  -37.4724
            10  C1b C    36.0356  -38.1448
            11  N4y N    43.4322  -41.6434
            12  C8y C    43.8496  -40.3900
            13  N5x N    45.1958  -40.4091
            14  N5x N    45.5837  -41.7142
            15  C8y C    44.4584  -42.4503
            16  C1c C    44.4393  -43.7966
            17  C1a C    45.6040  -44.5453
            18  C1a C    43.2512  -44.4616
            19  C1a C    43.0462  -39.2603
            20  C1c C    34.8710  -37.4724
            21  N1b N    33.7064  -38.1448
            22  C5a C    32.5418  -37.4724
            23  C1y C    31.3772  -38.1448
            24  C8y C    34.8710  -36.1280
            25  C8x C    36.0516  -35.4461
            26  C8x C    36.0514  -34.1013
            27  C8x C    34.8869  -33.4290
            28  C8x C    33.7062  -34.1109
            29  C8x C    33.7064  -35.4556
            30  C1x C    30.2268  -37.4806
            31  C1x C    29.0623  -38.1530
            32  C1z C    29.0622  -39.4977
            33  C1x C    30.2123  -40.1619
            34  C1x C    31.3771  -39.4896
            35  O5a O    32.5418  -36.1278
            36  X   F    27.8867  -40.1764
            37  X   F    27.8796  -38.8148
BOND        41
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     4   5 1
            9     7   8 1
            10    9  10 1
            11    5   9 1
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 1
            21   12  19 1
            22   10  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   20  24 1 #Up
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   24  29 2
            33   23  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   23  34 1
            39   22  35 2
            40   32  36 1
            41   32  37 1

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