KEGG   DRUG: TezacaftorHelp
Entry
D11041                      Drug                                   

Name
Tezacaftor (USAN/INN)
Formula
C26H27F3N2O6
Exact mass
520.1821
Mol weight
520.4976
Structure
Mol fileKCF fileDB search
Remark
Product (mixture): D11042<US>
Efficacy
CFTR modulator
Comment
Treatment of cystic fibrosis
Target
CFTR (ABCC7) [HSA:1080] [KO:K05031]
  Pathway
hsa02010  ABC transporters
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  ABC transporters
   ABCC subfamily
    CFTR (ABCC7)
     D11041  Tezacaftor (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1152311-62-0
PubChem: 355052575
ChEMBL: CHEMBL3544914
LinkDB All DBs
KCF data Show

ATOM        37
            1   C1z C    16.1000  -21.3500
            2   C5a C    17.2900  -20.6500
            3   C8y C    14.8400  -20.6500
            4   N1b N    18.4800  -21.3500
            5   C8y C    19.6700  -20.6500
            6   C8y C    19.6700  -19.2500
            7   C8x C    20.9300  -18.5500
            8   C8y C    22.0500  -19.2500
            9   C8y C    22.0500  -20.6500
            10  C8x C    20.9300  -21.3500
            11  O5a O    17.2900  -19.2500
            12  C8x C    13.6500  -21.3500
            13  C8y C    12.3900  -20.6500
            14  C8y C    12.3900  -19.2500
            15  C8x C    13.5800  -18.5500
            16  C8x C    14.8400  -19.2500
            17  O2x O    11.0600  -21.0700
            18  C1z C    10.2900  -19.9500
            19  O2x O    11.0600  -18.8300
            20  X   F     9.2400  -20.9300
            21  X   F     9.2400  -18.9700
            22  C1x C    15.3300  -22.5400
            23  C1x C    16.8000  -22.5400
            24  X   F    18.4800  -18.5500
            25  N4y N    23.3800  -18.8300
            26  C8y C    24.2200  -19.9500
            27  C8x C    23.3800  -21.0700
            28  C1d C    25.6200  -19.9500
            29  C1b C    26.3200  -21.1400
            30  O1a O    27.7200  -21.1400
            31  C1b C    23.3800  -17.4300
            32  C1c C    24.5700  -16.7300
            33  O1a O    25.7600  -17.4300
            34  C1b C    24.5700  -15.3300
            35  O1a O    25.7600  -14.6300
            36  C1a C    26.3200  -18.7600
            37  C1a C    27.0200  -19.9500
BOND        41
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    5  10 1
            11    2  11 2
            12    3  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17    3  16 1
            18   13  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   18  20 1
            23   18  21 1
            24   22  23 1
            25   23   1 1
            26    1  22 1
            27    6  24 1
            28    8  25 1
            29   25  26 1
            30   26  27 2
            31    9  27 1
            32   26  28 1
            33   28  29 1
            34   29  30 1
            35   25  31 1
            36   31  32 1
            37   32  33 1 #Down
            38   32  34 1
            39   34  35 1
            40   28  36 1
            41   28  37 1

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