KEGG   DRUG: CobicistatHelp
Entry
D09881                      Drug                                   

Name
Cobicistat (JAN/USAN/INN);
Tybost (TN)
Product
Formula
C40H53N7O5S2
Exact mass
775.355
Mol weight
776.0227
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Enzyme substrate
 DG01644  CYP2D6 substrate
Enzyme inhibitor
 DG02852  CYP3A inhibitor
Remark
ATC code: V03AX03
Product: D09881<US>
Product (mixture): D10753<US> D10756<JP/US> D10755<JP/US> D10832<JP/US>
Efficacy
Antiviral (potentiator), CYP3A inhibitor
  Disease
HIV-1 infection [DS:H01563]
Comment
Pharmacoenhancer of anti-HIV agents metabolized by CYP3A.
Combination with other antiretroviral
Target
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Drug interaction
Structure map
map07053  Anti-HIV agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AX Other therapeutic products
     V03AX03 Cobicistat
      D09881  Cobicistat (JAN/USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP3A
     D09881  Cobicistat (JAN/USAN/INN) <US>
Antiinfectives [br08350.html]
 Antivirals
  D09881
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09881
BRITE hierarchy
Other DBs
CAS: 1004316-88-4
PubChem: 135626633
ChEMBL: CHEMBL2095208
LigandBox: D09881
LinkDB All DBs
KCF data Show

ATOM        54
            1   C1c C    26.1100  -20.1600
            2   C1b C    26.1100  -21.5600
            3   C1b C    27.3000  -19.4600
            4   N1b N    24.9200  -19.4600
            5   C1b C    28.5600  -20.1600
            6   C5a C    23.7300  -20.1600
            7   C1c C    29.7500  -19.4600
            8   C1c C    22.4700  -19.4600
            9   O5a O    23.7300  -21.5600
            10  C1b C    29.7500  -18.0600
            11  N1b N    30.9400  -20.0900
            12  N1b N    21.2800  -20.1600
            13  C8y C    28.4900  -17.3600
            14  C7a C    32.1300  -19.4600
            15  C5a C    20.0900  -19.4600
            16  C8x C    28.4900  -15.9600
            17  C8x C    27.3000  -18.0600
            18  O7a O    33.3900  -20.0900
            19  O6a O    32.1300  -18.0600
            20  N1c N    18.9000  -20.1600
            21  O5a O    20.0900  -18.0600
            22  C8x C    27.3000  -15.2600
            23  C8x C    26.1100  -17.3600
            24  C1b C    34.5800  -19.3900
            25  C1b C    17.6400  -19.4600
            26  C1a C    18.9000  -21.5600
            27  C8x C    26.1100  -15.9600
            28  C8y C    35.7700  -20.0900
            29  C8y C    16.4500  -20.1600
            30  C8x C    35.7700  -21.4900
            31  S2x S    37.1000  -19.6700
            32  N5x N    15.1200  -19.8100
            33  C8x C    16.4500  -21.5600
            34  N5x N    37.1000  -21.9100
            35  C8x C    37.9400  -20.7900
            36  C8y C    14.3500  -21.0000
            37  S2x S    15.1900  -22.0500
            38  C1c C    12.9500  -21.0000
            39  C1a C    12.1800  -19.8100
            40  C1a C    12.3200  -22.1900
            41  C8y C    27.3224  -22.2600
            42  C8x C    27.3224  -23.6598
            43  C8x C    28.5349  -24.3598
            44  C8x C    29.7473  -23.6598
            45  C8x C    29.7473  -22.2600
            46  C8x C    28.5349  -21.5600
            47  C1b C    22.4528  -18.0601
            48  C1b C    21.2449  -17.3824
            49  N1y N    21.2449  -15.9824
            50  C1x C    22.4402  -15.2917
            51  C1x C    22.4397  -13.8917
            52  O2x O    21.2270  -13.1922
            53  C1x C    20.0317  -13.8828
            54  C1x C    20.0322  -15.2828
BOND        58
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 2
            9     7  10 1 #Down
            10    7  11 1
            11    8  12 1 #Up
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   15  20 1
            20   15  21 2
            21   16  22 1
            22   17  23 2
            23   18  24 1
            24   20  25 1
            25   20  26 1
            26   22  27 2
            27   24  28 1
            28   25  29 1
            29   28  30 2
            30   28  31 1
            31   29  32 1
            32   29  33 2
            33   30  34 1
            34   31  35 1
            35   32  36 2
            36   33  37 1
            37   36  38 1
            38   38  39 1
            39   38  40 1
            40   23  27 1
            41   34  35 2
            42   36  37 1
            43    2  41 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  45 1
            48   45  46 2
            49   41  46 1
            50    8  47 1
            51   47  48 1
            52   48  49 1
            53   49  50 1
            54   50  51 1
            55   51  52 1
            56   52  53 1
            57   53  54 1
            58   49  54 1

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