KEGG   DRUG: D01061Help
Entry
D01061                      Drug                                   

Name
Irinotecan hydrochloride hydrate (JAN);
Irinotecan hydrochloride (USAN);
CPT 11;
CPT-11;
Campto (TN)
Product
  Generic
Formula
C33H38N4O6. 3H2O. HCl
Exact mass
676.2875
Mol weight
677.1848
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DNA topoisomerate I inhibitor] [DS:H00013 H00014 H00018 H00020 H00027 H00030 H00031 H00040]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Camptothecin [CPD:C01897] derivative
Irinotecan forms cleavable complex with DNA and inhibit DNA synthesis.
Target
topoisomerase I inhibitor [HSA:7150] [KO:K03163]
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Genomic biomarker: UGT1A1 [HSA:54658]
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
     L01XX19 Irinotecan
      D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan 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
     D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase I
    Irinotecan
     D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Antineoplastics [BR:br08308]
 Natural products
  Topoisomerase I inhibitors
   Irinotecan
    D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Irinotecan
    D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
  CYP3A5
   Irinotecan
    D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
  CYP3A7
   Irinotecan
    D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Quinoline alkaloids
    D01061  Irinotecan hydrochloride hydrate (JAN); Irinotecan hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
136572-09-3
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        47
            1   X   Cl    6.3178  -11.7757
            2   O0  O    10.5410  -11.7757
            3   C8y C    12.1100   -7.2100
            4   C8x C    12.1100   -8.6100
            5   C8x C    13.3224   -9.3100
            6   C8y C    14.5349   -8.6100
            7   C8y C    14.5349   -7.2100
            8   C8x C    13.3224   -6.5100
            9   N5x N    15.7473   -9.3100
            10  C8y C    16.9597   -8.6100
            11  C8y C    16.9597   -7.2100
            12  C8y C    15.7473   -6.5100
            13  O7a O    10.8976   -6.5100
            14  C7a C     9.6851   -7.2100
            15  O6a O     9.6851   -8.6100
            16  N1y N     8.4540   -6.4990
            17  C1x C     8.4543   -5.1101
            18  C1x C     7.2420   -4.4098
            19  C1y C     6.0294   -5.1095
            20  C1x C     6.0291   -6.4984
            21  C1x C     7.2414   -7.1987
            22  N1y N     4.8103   -4.4053
            23  C1x C     4.8107   -3.0101
            24  C1x C     3.5985   -2.3098
            25  C1x C     2.3859   -3.0094
            26  C1x C     2.3854   -4.4045
            27  C1x C     3.5977   -5.1049
            28  C8y C    18.2912   -9.0426
            29  N4y N    19.1141   -7.9100
            30  C1x C    18.2912   -6.7774
            31  C8y C    20.5100   -7.9100
            32  C8y C    21.2100   -9.1224
            33  C8y C    20.5196  -10.3179
            34  C8x C    19.1103  -10.3180
            35  C1z C    21.2195  -11.5304
            36  C7x C    22.6195  -11.5306
            37  O7x O    23.3099  -10.3351
            38  C1x C    22.6100   -9.1226
            39  O5x O    21.2100   -6.6976
            40  O6a O    23.3254  -12.7534
            41  C1b C    15.7473   -5.1100
            42  C1a C    14.5369   -4.4112
            43  C1b C    19.8195  -11.5304
            44  O1a O    21.2195  -12.9500
            45  C1a C    19.1121  -12.7636
            46  O0  O    10.5410  -11.7757
            47  O0  O    10.5410  -11.7757
BOND        49
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     6   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12    3  13 1
            13   13  14 1
            14   14  15 2
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   16  21 1
            22   19  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   22  27 1
            29   10  28 1
            30   28  29 1
            31   29  30 1
            32   11  30 1
            33   29  31 1
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   33  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   32  38 1
            42   34  28 2
            43   31  39 2
            44   36  40 2
            45   12  41 1
            46   41  42 1
            47   35  43 1 #Down
            48   35  44 1 #Up
            49   43  45 1
BRACKET     1     8.6800  -12.7400    8.6800  -10.6400
            1    11.0600  -10.6400   11.0600  -12.7400
            1  3
 ORIGINAL  1    2
 REPEAT    1   46  47

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