KEGG   DRUG: Belotecan hydrochloride
Entry
D03225                      Drug                                   

Name
Belotecan hydrochloride (USAN)
Formula
C25H27N3O4. HCl
Exact mass
469.1768
Mol weight
469.9605
Structure
Simcomp
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01526  Topoisomerase I inhibitor
Remark
ATC code: L01CE04
Efficacy
Antineoplastic, Topoisomerase I inhibitor
Comment
Camptothecine derivative
Target
TOP1 [HSA:7150] [KO:K03163]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CE Topoisomerase 1 (TOP1) inhibitors
     L01CE04 Belotecan
      D03225  Belotecan hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D03225  Belotecan hydrochloride (USAN)
Other DBs
CAS: 213819-48-8
PubChem: 17397378
ChEMBL: CHEMBL2107315
LigandBox: D03225
KCF data

ATOM        33
            1   C8x C    19.6901  -18.4227
            2   C8x C    19.6901  -19.8238
            3   C8x C    20.9035  -20.5243
            4   C8y C    22.1169  -19.8238
            5   C8y C    22.1169  -18.4227
            6   C8x C    20.9035  -17.7221
            7   N5x N    23.3302  -20.5243
            8   C8y C    24.5435  -19.8238
            9   C8y C    24.5435  -18.4227
            10  C8y C    23.3302  -17.7221
            11  C8y C    25.8760  -20.2567
            12  N4y N    26.6996  -19.1232
            13  C1x C    25.8760  -17.9898
            14  C1b C    23.3302  -16.3211
            15  C8y C    28.0996  -19.1232
            16  C8y C    28.7861  -20.3130
            17  C1x C    30.1699  -20.3132
            18  C8y C    28.0875  -21.5224
            19  C8x C    26.6704  -21.5224
            20  O5x O    28.7978  -17.9140
            21  O7x O    30.8641  -21.5158
            22  C7x C    30.1764  -22.7061
            23  C1z C    28.7702  -22.7059
            24  O6a O    30.8634  -23.8963
            25  C1b C    27.3702  -22.7053
            26  C1a C    26.6805  -23.8985
            27  O1a O    28.7702  -24.1059
            28  C1b C    24.5321  -15.6270
            29  N1b N    25.7132  -16.3087
            30  C1c C    26.9075  -15.6188
            31  C1a C    28.0956  -16.3046
            32  C1a C    26.9074  -14.2103
            33  X   Cl   33.9500  -21.5600
BOND        36
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 2
            21   18  19 1
            22   19  11 2
            23   15  20 2
            24   17  21 1
            25   21  22 1
            26   22  23 1
            27   23  18 1
            28   22  24 2
            29   23  25 1 #Down
            30   25  26 1
            31   23  27 1 #Up
            32   14  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   30  32 1

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