KEGG   DRUG: D01275Help
Entry
D01275                      Drug                                   

Name
Doxorubicin hydrochloride (JP16/USP);
Adriacin (TN);
Adriamycin (TN);
Doxil (TN);
Rubex (TN)
Product
  Generic
  Other
Formula
C27H29NO11. HCl
Exact mass
579.1507
Mol weight
579.9802
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Streptomyces peucetius [TAX:1950]
Activity
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
topoisomerase II inhibitor [HSA:7153 7155] [KO:K03164]
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
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
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB01 Doxorubicin
      D01275  Doxorubicin hydrochloride (JP16/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4235  Anthracycline antibiotics
     D01275  Doxorubicin hydrochloride (JP16/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase II
    Doxorubicin
     D01275  Doxorubicin hydrochloride (JP16/USP)
Antineoplastics [BR:br08308]
 Natural products
  Antibiotics
   Doxorubicin
    D01275  Doxorubicin hydrochloride (JP16/USP)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP2D6
   Doxorubicin
    D01275  Doxorubicin hydrochloride (JP16/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01275  Doxorubicin hydrochloride
  D01275  Doxorubicin hydrochloride for injection
BRITE hierarchy
Other DBs
CAS: 
25316-40-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   C8x C    23.4525  -12.6014
            2   C8x C    23.4525  -14.0018
            3   C8y C    24.6429  -14.7020
            4   C8y C    25.9033  -14.0018
            5   C8y C    25.9033  -12.6014
            6   C8x C    24.6429  -11.9012
            7   C5x C    27.0936  -14.7020
            8   C8y C    28.2840  -14.0018
            9   C8y C    28.2840  -12.6014
            10  C5x C    27.0936  -11.9012
            11  C8y C    29.5443  -14.7020
            12  C8y C    30.7347  -14.0018
            13  C8y C    30.7347  -12.6014
            14  C8y C    29.5443  -11.9012
            15  C1y C    31.9250  -14.7020
            16  C1x C    33.1854  -14.0018
            17  C1z C    33.1854  -12.6014
            18  C1x C    31.9250  -11.9012
            19  O2a O    24.6429  -16.1024
            20  C1a C    23.4525  -16.8026
            21  O5x O    27.0936  -16.1024
            22  O5x O    27.0936  -10.5008
            23  O1a O    29.5443  -10.5008
            24  O1a O    29.5443  -16.1024
            25  O2a O    31.9250  -16.1024
            26  C1y C    33.1154  -16.8026
            27  C5a C    34.3758  -11.9012
            28  C1b C    35.5661  -12.6014
            29  O1a O    36.7565  -11.9012
            30  O5a O    34.3758  -10.5008
            31  O1a O    34.3758  -13.3016
            32  C1x C    33.1154  -18.2030
            33  C1y C    34.3758  -18.9032
            34  C1y C    35.5661  -18.2030
            35  C1y C    35.5661  -16.8026
            36  O2x O    34.3758  -16.1024
            37  N1a N    34.3930  -20.3035
            38  C1a C    36.7818  -16.1073
            39  O1a O    36.7818  -18.8983
            40  X   Cl   28.4940  -18.6932
BOND        43
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   28  29 1
            33   27  30 2
            34   17  31 1 #Down
            35   26  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   26  36 1
            41   33  37 1 #Up
            42   35  38 1 #Up
            43   34  39 1 #Up

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