KEGG   DRUG: Arfolitixorin
Entry
D11447                      Drug                                   

Name
Arfolitixorin (USAN/INN)
Formula
C20H23N7O6
Exact mass
457.171
Mol weight
457.4399
Structure
Simcomp
Efficacy
Antineoplastic, Neoadjuvant
Comment
Treatment of advanced metastatic colorectal cancer and a s a rescue drug after high-dose methotrexate treatment
Other DBs
CAS: 31690-11-6
PubChem: 384585424
ChEMBL: CHEMBL1234270
PDB-CCD: MEF[PDBj] MHF[PDBj]
LinkDB
KCF data

ATOM        33
            1   N5x N    10.7198  -16.6752
            2   C8y C    10.0892  -17.9364
            3   N4x N    10.7198  -19.0574
            4   C8y C    12.1911  -19.0574
            5   C8y C    12.8217  -17.8663
            6   C8y C    12.1211  -16.6752
            7   N1x N    12.8918  -20.3186
            8   C1x C    14.2931  -20.3186
            9   C1y C    14.9236  -18.9874
            10  N1y N    14.2230  -17.8663
            11  C1x C    16.2549  -18.7772
            12  N1y N    16.4650  -17.2358
            13  C1x C    15.1338  -16.7453
            14  O5x O    12.7517  -15.4141
            15  N1a N     8.6879  -17.9363
            16  C8y C    17.7262  -16.5351
            17  C8x C    18.9173  -17.3058
            18  C8x C    20.1084  -16.6052
            19  C8y C    20.1084  -15.2039
            20  C8x C    18.9173  -14.5033
            21  C8x C    17.7262  -15.1338
            22  C5a C    21.3695  -14.5033
            23  N1b N    22.5606  -15.2740
            24  O5a O    21.3695  -13.1020
            25  C1c C    23.7517  -14.5733
            26  C1b C    24.9428  -15.2740
            27  C1b C    26.2040  -14.6434
            28  C6a C    23.8218  -13.1720
            29  O6a O    25.0129  -12.4714
            30  O6a O    22.6307  -12.4714
            31  C6a C    27.3250  -15.3440
            32  O6a O    28.5861  -14.6434
            33  O6a O    27.3250  -16.6752
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   10  13 1
            16    6  14 2
            17    2  15 1
            18   12  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   19  22 1
            26   22  23 1
            27   22  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   25  28 1 #Down
            32   28  29 1
            33   28  30 2
            34   27  31 1
            35   31  32 1
            36   31  33 2

» Japanese version   » Back

DBGET integrated database retrieval system