KEGG   DRUG: BexagliflozinHelp
Entry
D10865                      Drug                                   

Name
Bexagliflozin (USAN)
Formula
C24H29ClO7
Exact mass
464.1602
Mol weight
464.9359
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antidiabetic, SGLT-2 inhibitor
Target
SLC5A2 (SGLT2) [HSA:6524] [KO:K14382]
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC5
    SLC5A2 (SGLT2)
     D10865  Bexagliflozin (USAN)
BRITE hierarchy
Other DBs
CAS: 1118567-05-7
PubChem: 319902665
ChEMBL: CHEMBL1808388
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1y C     6.8600  -16.0300
            2   O2x O     6.8600  -14.6300
            3   C1y C     5.6700  -13.9300
            4   C1y C     4.4100  -14.6300
            5   C1y C     4.4100  -16.0300
            6   C1y C     5.6700  -16.7300
            7   O1a O     5.6700  -18.1300
            8   O1a O     3.2200  -13.9300
            9   O1a O     3.2200  -16.7300
            10  C1b C     5.6700  -12.5300
            11  C8y C     8.0500  -16.7300
            12  C8x C     8.0500  -18.1300
            13  C8x C     9.3100  -18.8300
            14  C8y C    10.5000  -18.1300
            15  C8y C    10.5000  -16.7300
            16  C8x C     9.3100  -16.0300
            17  X   Cl   11.6900  -18.8300
            18  C1b C    11.6900  -16.0300
            19  C8y C    12.8800  -16.7300
            20  C8x C    12.8800  -18.1300
            21  C8x C    14.1400  -18.8300
            22  C8y C    15.3300  -18.1300
            23  C8x C    15.3300  -16.7300
            24  C8x C    14.1400  -16.0300
            25  O2a O    16.5200  -18.8300
            26  C1b C    17.7100  -18.1300
            27  C1b C    18.9000  -18.8300
            28  O2a O    20.0900  -18.1300
            29  C1y C    21.2800  -18.8300
            30  C1x C    22.6800  -18.8300
            31  C1x C    21.9800  -20.0200
            32  O1a O     6.8600  -11.8300
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Down
            8     4   8 1 #Down
            9     5   9 1 #Up
            10    3  10 1 #Up
            11    1  11 1 #Up
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   30  29 1
            33   31  30 1
            34   29  31 1
            35   10  32 1

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