KEGG   DRUG: Cositecan
Entry
D09327                      Drug                                   

Name
Cositecan (USAN);
Karenitecin (TN)
Formula
C25H28N2O4Si
Exact mass
448.1818
Mol weight
448.5863
Structure
Simcomp
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01526  Topoisomerase I inhibitor
Efficacy
Antineoplastic, Topoisomerase I inhibitor
Comment
Camptothecin [CPD:C01897] analog
Target
TOP1 [HSA:7150] [KO:K03163]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D09327  Cositecan (USAN)
Other DBs
CAS: 203923-89-1
PubChem: 96026007
ChEMBL: CHEMBL1997373
KCF data

ATOM        32
            1   C8x C    18.0285  -22.7067
            2   C8x C    18.0285  -24.1109
            3   C8x C    19.2220  -24.8129
            4   C8y C    20.4156  -24.1109
            5   C8y C    20.4156  -22.7067
            6   C8x C    19.2220  -22.0046
            7   N5x N    21.6793  -24.8129
            8   C8y C    22.8728  -24.1109
            9   C8y C    22.8728  -22.7067
            10  C8y C    21.6793  -22.0046
            11  C8y C    24.2067  -24.5321
            12  N4y N    25.0492  -23.4088
            13  C1x C    24.2067  -22.2855
            14  C8y C    26.3832  -23.4088
            15  C8y C    27.0852  -24.6023
            16  C8y C    26.4534  -25.7958
            17  C8x C    24.9790  -25.7958
            18  C1z C    27.1554  -26.9893
            19  C7x C    28.4894  -26.9893
            20  O7x O    29.1212  -25.7958
            21  C1x C    28.4192  -24.6023
            22  O5x O    27.0852  -22.1451
            23  O6a O    29.1914  -28.2531
            24  C1b C    21.6793  -20.6707
            25  C1b C    25.7513  -26.9893
            26  O1a O    27.1554  -28.4637
            27  C1a C    25.0492  -28.2531
            28  C1b C    22.8953  -19.9686
            29  Z   Si   22.8954  -18.5647
            30  C1a C    24.2995  -18.5647
            31  C1a C    21.4912  -18.5647
            32  C1a C    22.8954  -17.1605
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   12  14 1
            17   14  15 1
            18   15  16 2
            19   16  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   15  21 1
            25   17  11 2
            26   14  22 2
            27   19  23 2
            28   10  24 1
            29   18  25 1 #Down
            30   18  26 1 #Up
            31   25  27 1
            32   24  28 1
            33   28  29 1
            34   29  30 1
            35   29  31 1
            36   29  32 1

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