KEGG   DRUG: Turofexorate isopropyl
Entry
D08277                      Drug                                   
Name
Turofexorate isopropyl (USAN/INN)
Formula
C25H24F2N2O3
Exact mass
438.1755
Mol weight
438.4665
Structure
Efficacy
Antidyslipidemia, Farnesoid X receptor (FXR) agonist
Comment
Treatment of lipid disorders including hypertriglyceridemia and hypercholesterolemia
Target
NR1H4 (FXR) [HSA:9971] [KO:K08537]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    NR1H4 (FXR)
     D08277  Turofexorate isopropyl (USAN/INN)
Other DBs
CAS: 629664-81-9
PubChem: 96024964
ChEBI: 177681
PDB-CCD: 33Y[PDBj]
LigandBox: D08277
KCF data

ATOM        32
            1   C2x C    22.2600  -21.7700
            2   C2y C    23.5200  -21.2100
            3   C8y C    24.7800  -21.8400
            4   C8y C    25.0600  -23.1700
            5   N1y N    21.9100  -23.1700
            6   C1z C    24.2200  -24.2900
            7   C1x C    22.8200  -24.2900
            8   C7a C    23.5200  -19.8100
            9   O7a O    24.7800  -19.1100
            10  O6a O    22.3300  -19.1100
            11  C1c C    24.7800  -17.7100
            12  C1a C    25.9700  -17.0100
            13  C1a C    23.5900  -17.0100
            14  C8y C    19.5300  -23.1700
            15  C5a C    20.7200  -23.8700
            16  O5a O    20.7200  -25.2700
            17  C8x C    19.5414  -21.7700
            18  C8x C    18.3347  -21.0602
            19  C8y C    17.1166  -21.7503
            20  C8y C    17.1752  -23.1503
            21  C8x C    18.3119  -23.8601
            22  X   F    15.9264  -21.0897
            23  X   F    15.9379  -23.8705
            24  C8y C    26.4114  -23.3147
            25  C8y C    26.9667  -22.0741
            26  N4x N    25.9584  -21.1627
            27  C8x C    27.2321  -24.4489
            28  C8x C    28.6247  -24.3053
            29  C8x C    29.1800  -23.0647
            30  C8x C    28.3593  -21.9305
            31  C1a C    24.8461  -25.5422
            32  C1a C    23.6462  -25.5670
BOND        35
            1     3   4 2
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 2
            7     6   7 1
            8     2   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   11  13 1
            14   14  15 1
            15   15   5 1
            16   15  16 2
            17   14  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   14  21 1
            23   19  22 1
            24   20  23 1
            25    4  24 1
            26   24  25 1
            27   25  26 1
            28    3  26 1
            29   24  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   25  30 2
            34    6  31 1
            35    6  32 1

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