KEGG   DRUG: D08618Help
Entry
D08618                      Drug                                   

Name
Topotecan (BAN);
Hycamtin (TN)
Formula
C23H23N3O5
Exact mass
421.1638
Mol weight
421.4458
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Camptothecin derivatives
Target
topoisomerase I inhibitor [HSA:7150] [KO:K03163]
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], ABCC4 [HSA:10257]
Interaction
Drug interaction
Structure map
Antineoplastics - agents from natural products
Other map
Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX17 Topotecan
      D08618  Topotecan (BAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Enzyme Inhibitors
   Topotecan
    D08618  Topotecan (BAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase I
    Topotecan
     D08618  Topotecan (BAN)
Antineoplastics [BR:br08308]
 Natural products
  Topoisomerase I inhibitors
   Topotecan
    D08618  Topotecan (BAN)
BRITE hierarchy
Other DBs
CAS: 
123948-87-8
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C8y C    27.7200  -17.8500
            2   C8x C    26.1100  -20.0900
            3   C8y C    28.2800  -19.1100
            4   O5x O    28.5600  -16.6600
            5   C8y C    27.4400  -20.2300
            6   C1x C    29.6800  -19.2500
            7   C1z C    28.0700  -21.4900
            8   O7x O    30.2400  -20.5100
            9   C7x C    29.4000  -21.6300
            10  C1b C    26.6000  -21.3500
            11  O1a O    28.6300  -22.8200
            12  O6a O    30.0300  -22.9600
            13  C1a C    25.7600  -22.5400
            14  C8y C    25.4800  -18.8300
            15  N4y N    26.3200  -17.7100
            16  C1x C    25.4800  -16.5900
            17  C8y C    24.1500  -18.4100
            18  C8y C    24.1500  -17.0100
            19  C8x C    22.9600  -16.3100
            20  N5x N    22.9600  -19.1100
            21  C8y C    21.7700  -18.4100
            22  C8y C    21.7700  -17.0100
            23  C8y C    20.5800  -16.3800
            24  C8y C    19.3900  -17.0800
            25  C8x C    19.3900  -18.4100
            26  C8x C    20.5800  -19.1100
            27  C1b C    20.5800  -14.9800
            28  N1c N    19.3900  -14.2800
            29  C1a C    19.3900  -12.8800
            30  C1a C    18.2000  -14.9800
            31  O1a O    18.1300  -16.3800
BOND        35
            1    14   2 2
            2    14  15 1
            3    15  16 1
            4    16  18 1
            5    17  14 1
            6     1   3 1
            7     1   4 2
            8     2   5 1
            9     3   6 1
            10   17  18 2
            11   18  19 1
            12   19  22 2
            13   21  20 2
            14   20  17 1
            15    5   7 1
            16    6   8 1
            17    7   9 1
            18    7  10 1 #Down
            19    7  11 1 #Up
            20    9  12 2
            21   21  22 1
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  21 1
            27   23  27 1
            28   10  13 1
            29   27  28 1
            30    3   5 2
            31   28  29 1
            32    8   9 1
            33   28  30 1
            34   15   1 1
            35   24  31 1

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