KEGG   COMPOUND: C11158
Entry
C11158                      Compound                               
Name
Topotecan
Formula
C23H23N3O5
Exact mass
421.1638
Mol weight
421.44
Structure
Remark
Same as: D08618
Pathway
map04976  Bile secretion
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
     L01CE01 Topotecan
      D08618  Topotecan (BAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01529  Topoisomerase inhibitor
   DG01526  Topoisomerase I inhibitor
    DG00725  Topotecan
     D08618  Topotecan
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00725  Topotecan
    D08618  Topotecan
  DG02920  ABCC4 substrate
   DG00725  Topotecan
    D08618  Topotecan
  DG01913  ABCG2 substrate
   DG00725  Topotecan
    D08618  Topotecan
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D08618  Topotecan (BAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08618
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D08618
Other DBs
CAS: 123948-87-8
PubChem: 13340
ChEBI: 63632
PDB-CCD: TTC[PDBj]
NIKKAJI: J362.027A
KCF data

ATOM        31
            1   C8y C    28.4697  -17.8272
            2   C8x C    26.8499  -20.0880
            3   C8y C    29.0462  -19.0926
            4   O5x O    29.3189  -16.6450
            5   C8y C    28.2381  -20.2203
            6   C1x C    30.4333  -19.2240
            7   C1z C    28.8078  -21.4929
            8   O7x O    31.0032  -20.4893
            9   C7x C    30.1875  -21.5976
            10  C1b C    27.3632  -21.3322
            11  O1a O    29.4147  -22.8101
            12  O6a O    30.8023  -22.9708
            13  C1a C    26.5010  -22.5123
            14  C8y C    26.2732  -18.8155
            15  N4y N    27.0810  -17.6826
            16  C1x C    26.2553  -16.5624
            17  C8y C    24.9432  -18.3959
            18  C8y C    24.9339  -17.0072
            19  C8x C    23.7304  -16.3280
            20  N5x N    23.7492  -19.0983
            21  C8y C    22.5689  -18.4192
            22  C8y C    22.5293  -17.0348
            23  C8y C    21.3296  -16.3505
            24  C8y C    20.1389  -17.0507
            25  C8x C    20.1480  -18.4349
            26  C8x C    21.3478  -19.1191
            27  C1b C    21.3671  -14.9567
            28  N1c N    20.1555  -14.2677
            29  C1a C    20.1463  -12.8739
            30  C1a C    18.9530  -14.9726
            31  O1a O    18.9268  -16.3625
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

» Japanese version

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Pathway (1)   
   KEGG PATHWAY (1)   
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (7)   

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