KEGG   DRUG: SapacitabineHelp
Entry
D09722                      Drug                                   

Name
Sapacitabine (USAN/INN)
Formula
C26H42N4O5
Exact mass
490.3155
Mol weight
490.6355
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
  DG01439  Arabinofuranosyl type antineoplastic
 DG01439  Arabinofuranosyl type antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01439  Arabinofuranosyl type antineoplastic
Efficacy
Antineoplastic, Antimetabolite
Comment
nucleoside analog
Interaction
Drug interaction
Other DBs
CAS: 151823-14-2
PubChem: 124490462
ChEMBL: CHEMBL2105681
LigandBox: D09722
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    21.4200  -17.2900
            2   N4y N    21.4200  -18.6900
            3   C8x C    22.6100  -19.3900
            4   C8x C    23.8700  -18.6900
            5   C8y C    23.8700  -17.2900
            6   N5x N    22.6100  -16.5900
            7   N1b N    25.0600  -16.5900
            8   C5a C    26.2500  -17.2900
            9   C1b C    27.4400  -16.5900
            10  C1b C    28.6300  -17.2900
            11  C1b C    29.8200  -16.5900
            12  C1b C    31.0100  -17.2900
            13  O5x O    20.2300  -16.5900
            14  O5a O    26.2500  -18.6900
            15  C1b C    32.2000  -16.5900
            16  C1b C    33.3900  -17.2900
            17  C1b C    34.5800  -16.5900
            18  C1b C    35.7700  -17.2900
            19  C1b C    36.9600  -16.5900
            20  C1b C    38.1500  -17.2900
            21  C1b C    39.3400  -16.5900
            22  C1b C    40.5300  -17.2900
            23  C1b C    41.7200  -16.5900
            24  C1b C    42.9100  -17.2900
            25  C1a C    44.1000  -16.5900
            26  C1y C    20.2300  -19.3900
            27  C1y C    18.4100  -20.7200
            28  C1y C    19.8100  -20.7200
            29  O2x O    19.1100  -18.5500
            30  C1y C    17.9900  -19.3900
            31  C3b C    20.6500  -21.8400
            32  O1a O    17.5700  -21.8400
            33  C1b C    16.8000  -18.6900
            34  O1a O    15.5819  -19.3801
            35  N3a N    21.4999  -22.9699
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    1  13 2
            14    8  14 2
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   26   2 1 #Up
            27   27  28 1
            28   28  26 1
            29   26  29 1
            30   29  30 1
            31   27  30 1
            32   28  31 1 #Up
            33   27  32 1 #Down
            34   30  33 1 #Up
            35   33  34 1
            36   31  35 3

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