KEGG   DRUG: Temsavir
Entry
D10734                      Drug                                   

Name
Temsavir (USAN)
Formula
C24H23N7O4
Exact mass
473.1812
Mol weight
473.4839
Structure
Simcomp
Remark
Same as: C21558
Chemical structure group: DG01860
Efficacy
Antiviral
Comment
HIV-1 attachment inhibitor
Treatment of HIV
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Transporter inhibition: ABCG2 [HSA:9429], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Brite
Prodrugs [br08324.html]
 D10734
Prodrugs [br08324.html]
 DG01860
Other DBs
CAS: 701213-36-7
PubChem: 254741695
ChEMBL: CHEMBL3301620
PDB-CCD: 83J[PDBj]
LinkDB
KCF data

ATOM        35
            1   N5x N    16.9400  -18.2700
            2   C8x C    18.1300  -18.9700
            3   C8y C    19.3900  -18.2700
            4   C8y C    19.3900  -16.8700
            5   C8y C    18.1300  -16.1700
            6   C8y C    16.9400  -16.8700
            7   C8y C    20.3700  -15.8900
            8   C8x C    19.8100  -14.6300
            9   N4x N    18.4100  -14.7700
            10  N4y N    15.7500  -16.1700
            11  C8x C    15.5400  -14.7700
            12  N5x N    14.2100  -14.4900
            13  C8y C    13.5100  -15.7500
            14  N5x N    14.4900  -16.7300
            15  C1a C    12.1100  -15.7500
            16  O2a O    20.5800  -18.9700
            17  C1a C    20.5800  -20.3700
            18  C5a C    21.7700  -16.0300
            19  O5a O    22.7500  -15.1900
            20  C5a C    22.4700  -17.5000
            21  O5a O    21.4900  -18.4800
            22  N1y N    23.8000  -17.8500
            23  C1x C    24.1500  -19.1800
            24  C1x C    25.5500  -19.5300
            25  N1y N    26.5300  -18.5500
            26  C1x C    26.1800  -17.2200
            27  C1x C    24.7800  -16.8000
            28  C8x C    27.2300  -21.2100
            29  C8y C    28.2800  -20.2300
            30  C5a C    27.8600  -18.9000
            31  C8x C    27.6500  -22.6100
            32  C8x C    28.9800  -22.9600
            33  C8x C    29.9600  -21.9100
            34  C8x C    29.6100  -20.5800
            35  O5a O    28.8400  -17.9200
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   13  15 1
            18    3  16 1
            19   16  17 1
            20    7  18 1
            21   18  19 2
            22   18  20 1
            23   20  21 2
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   28  29 2
            32   29  30 1
            33   25  30 1
            34   28  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   30  35 2

» Japanese version   » Back

DBGET integrated database retrieval system