KEGG   DRUG: Topotecan hydrochloride
Entry
D02168                      Drug                                   
Name
Topotecan hydrochloride (USAN);
Nogitecan hydrochloride (JAN);
Hycamtin (TN);
Potactasol (TN)
Product
  Generic
Formula
C23H23N3O5. HCl
Exact mass
457.1404
Mol weight
457.9068
Structure
Simcomp
Class
Antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01526  Topoisomerase I inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
 DG02920  ABCC4 substrate
 DG01913  ABCG2 substrate
Remark
Therapeutic category: 4240
ATC code: L01CE01
Chemical structure group: DG00725
Product (DG00725): D02168<JP/US>
Efficacy
Antineoplastic, Topoisomerase I inhibitor
  Disease
Small cell lung cancer [DS:H00013]
Ovarian cancer [DS:H00027]
Cervical cancer [DS:H00030]
Comment
Camptothecin [CPD:C01897] derivative
Target
TOP1 [HSA:7150] [KO:K03163]
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], ABCC4 [HSA:10257]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
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
      D02168  Topotecan hydrochloride (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Enzyme Inhibitors
   Topotecan
    D02168  Topotecan hydrochloride (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D02168  Topotecan hydrochloride (USAN); Nogitecan hydrochloride (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01529  Topoisomerase inhibitor
   DG01526  Topoisomerase I inhibitor
    DG00725  Topotecan
     D02168  Topotecan hydrochloride
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00725  Topotecan
    D02168  Topotecan hydrochloride
  DG02920  ABCC4 substrate
   DG00725  Topotecan
    D02168  Topotecan hydrochloride
  DG01913  ABCG2 substrate
   DG00725  Topotecan
    D02168  Topotecan hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D02168  Topotecan hydrochloride (USAN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02168
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02168
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D02168
Drug groups [BR:br08330]
 Antineoplastic
  DG01529  Topoisomerase inhibitor
   DG01526  Topoisomerase I inhibitor
    DG00725  Topotecan
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00725  Topotecan
  DG02920  ABCC4 substrate
   DG00725  Topotecan
  DG01913  ABCG2 substrate
   DG00725  Topotecan
Other DBs
CAS: 119413-54-6
PubChem: 7849229
LigandBox: D02168
NIKKAJI: J2.173.467E
LinkDB
KCF data

ATOM        32
            1   C8y C    32.0215  -19.7287
            2   C8y C    29.7683  -20.8552
            3   N4y N    30.6133  -19.7285
            4   C1x C    29.7683  -18.6020
            5   C8y C    28.4540  -20.4326
            6   C8y C    28.4540  -19.0244
            7   C8x C    27.2336  -18.3673
            8   N5x N    27.2336  -21.1367
            9   C8y C    26.0131  -20.4796
            10  C8y C    26.0131  -19.0714
            11  C8y C    24.8396  -18.3673
            12  C8y C    23.6191  -19.0714
            13  C8x C    23.6191  -20.4796
            14  C8x C    24.8396  -21.1838
            15  C1b C    24.8396  -17.0060
            16  N1c N    23.6191  -16.3019
            17  C1a C    23.6191  -14.8937
            18  C1a C    22.4456  -17.0060
            19  O1a O    22.3987  -18.4143
            20  O5x O    32.7141  -18.5298
            21  C8y C    32.7340  -20.9631
            22  C1x C    34.1280  -20.9630
            23  C8y C    32.0340  -22.1755
            24  C8x C    30.6115  -22.1758
            25  O7x O    34.8251  -22.1700
            26  C7x C    34.1346  -23.3658
            27  C1z C    32.7215  -23.3659
            28  O6a O    34.8251  -24.5616
            29  C1b C    31.3147  -23.3660
            30  C1a C    30.6287  -24.5679
            31  O1a O    32.7215  -24.7659
            32  X   Cl   36.6837  -19.7288
BOND        35
            1     2   3 1
            2     3   4 1
            3     4   6 1
            4     5   2 1
            5     5   6 2
            6     6   7 1
            7     7  10 2
            8     9   8 2
            9     8   5 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14   9 1
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 1
            20    3   1 1
            21   12  19 1
            22    1  20 2
            23    1  21 1
            24   21  22 1
            25   21  23 2
            26   23  24 1
            27   24   2 2
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   27  23 1
            32   26  28 2
            33   27  29 1 #Down
            34   29  30 1
            35   27  31 1 #Up

» Japanese version   » Back

KEGG   DRUG: Topotecan
Entry
D08618                      Drug                                   
Name
Topotecan (BAN);
Hycamtin (TN)
Formula
C23H23N3O5
Exact mass
421.1638
Mol weight
421.4458
Structure
Simcomp
Class
Antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01526  Topoisomerase I inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
 DG02920  ABCC4 substrate
 DG01913  ABCG2 substrate
Remark
Same as: C11158
ATC code: L01CE01
Chemical structure group: DG00725
Product (DG00725): D02168<JP/US>
Efficacy
Antineoplastic, Topoisomerase I inhibitor
Comment
Camptothecin derivative
Target
TOP1 [HSA:7150] [KO:K03163]
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], ABCC4 [HSA:10257]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
Other map
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
Drug groups [BR:br08330]
 Antineoplastic
  DG01529  Topoisomerase inhibitor
   DG01526  Topoisomerase I inhibitor
    DG00725  Topotecan
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00725  Topotecan
  DG02920  ABCC4 substrate
   DG00725  Topotecan
  DG01913  ABCG2 substrate
   DG00725  Topotecan
Other DBs
CAS: 123948-87-8
PubChem: 96025302
ChEBI: 63632
PDB-CCD: TTC[PDBj]
LigandBox: D08618
NIKKAJI: J362.027A
LinkDB
KCF data

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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