KEGG   DRUG: Daunorubicin hydrochloride
Entry
D01264                      Drug                                   
Name
Daunorubicin hydrochloride (JP18/USP);
Cerubidine (TN)
Product
  Generic
Formula
C27H29NO10. HCl
Exact mass
563.1558
Mol weight
563.9808
Structure
Simcomp
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Therapeutic category: 4235
ATC code: L01DB02
Chemical structure group: DG00697
Product (DG00697): D01264<JP/US>
Product (mixture): D11390<US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
  Disease
Acute nonlymphocytic leukemia, myelogenous [DS:H00003]
Acute lymphocytic leukemia [DS:H00001 H00002]
Target
TOP2 [HSA:7153 7155] [KO:K03164]
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
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB02 Daunorubicin
      D01264  Daunorubicin hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Daunorubicin
    D01264  Daunorubicin hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4235  Anthracycline antibiotics
     D01264  Daunorubicin hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00697  Daunorubicin
    D01264  Daunorubicin hydrochloride
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00697  Daunorubicin
     D01264  Daunorubicin hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D01264  Daunorubicin hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01264  Daunorubicin hydrochloride
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00697  Daunorubicin
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00697  Daunorubicin
Other DBs
CAS: 23541-50-6
PubChem: 7848327
ChEBI: 31456
LigandBox: D01264
NIKKAJI: J231.607B
KCF data

ATOM        39
            1   C8x C     2.1027   -6.0215
            2   C8x C     2.1027   -7.4219
            3   C8y C     3.2931   -8.1221
            4   C8y C     4.5535   -7.4219
            5   C8y C     4.5535   -6.0215
            6   C8x C     3.2931   -5.3213
            7   C5x C     5.7438   -8.1221
            8   C8y C     6.9342   -7.4219
            9   C8y C     6.9342   -6.0215
            10  C5x C     5.7438   -5.3213
            11  C8y C     8.1945   -8.1221
            12  C8y C     9.3850   -7.4219
            13  C8y C     9.3850   -6.0215
            14  C8y C     8.1945   -5.3213
            15  C1y C    10.5753   -8.1221
            16  C1x C    11.8357   -7.4219
            17  C1z C    11.8357   -6.0215
            18  C1x C    10.5753   -5.3213
            19  O2a O     3.2931   -9.5225
            20  C1a C     2.1027  -10.2227
            21  O5x O     5.7438   -9.5225
            22  O5x O     5.7438   -3.9209
            23  O1a O     8.1945   -3.9209
            24  O1a O     8.1945   -9.5225
            25  O2a O    10.5753   -9.5225
            26  C1y C    11.7657  -10.2227
            27  C5a C    13.0261   -5.3213
            28  C1a C    14.2164   -6.0215
            29  O5a O    13.0261   -3.9209
            30  O1a O    13.0261   -6.9317
            31  C1x C    11.7657  -11.6232
            32  C1y C    13.0261  -12.3234
            33  C1y C    14.2164  -11.6232
            34  C1y C    14.2164  -10.2227
            35  O2x O    13.0261   -9.5225
            36  N1a N    13.0433  -13.7237
            37  C1a C    15.4321   -9.5274
            38  O1a O    15.4255  -12.3147
            39  X   Cl    6.4402  -11.8302
BOND        42
            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   27  29 2
            33   17  30 1 #Down
            34   26  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   26  35 1
            40   32  36 1 #Up
            41   34  37 1 #Up
            42   33  38 1 #Up

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