KEGG   DRUG: Idarubicin hydrochloride
Entry
D01747                      Drug                                   
Name
Idarubicin hydrochloride (JP18/USP);
Idamycin (TN)
Product
  Generic
Formula
C26H27NO9. HCl
Exact mass
533.1453
Mol weight
533.9548
Structure
Simcomp
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Therapeutic category: 4235
ATC code: L01DB06
Chemical structure group: DG00700
Product (DG00700): D01747<JP/US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
  Disease
Acute myeloid leukemia [DS:H00003]
Target
TOP2 [HSA:7153 7155] [KO:K03164]
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
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB06 Idarubicin
      D01747  Idarubicin hydrochloride (JP18/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4235  Anthracycline antibiotics
     D01747  Idarubicin hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00700  Idarubicin
    D01747  Idarubicin hydrochloride
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00700  Idarubicin
     D01747  Idarubicin hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D01747  Idarubicin hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01747  Idarubicin hydrochloride
  D01747  Idarubicin hydrochloride for injection
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00700  Idarubicin
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00700  Idarubicin
Other DBs
CAS: 57852-57-0
PubChem: 7848810
ChEBI: 31686
LigandBox: D01747
NIKKAJI: J300.178D
LinkDB
KCF data

ATOM        37
            1   X   Cl   38.2200  -13.1600
            2   C8x C    22.4700  -11.7600
            3   C8x C    22.4700  -13.1600
            4   C8x C    23.6600  -13.8600
            5   C8y C    24.9200  -13.1600
            6   C8y C    24.9200  -11.7600
            7   C8x C    23.6600  -11.0600
            8   C5x C    26.1100  -13.8600
            9   C8y C    27.3000  -13.1600
            10  C8y C    27.3000  -11.7600
            11  C5x C    26.1100  -11.0600
            12  C8y C    28.5600  -13.8600
            13  C8y C    29.7500  -13.1600
            14  C8y C    29.7500  -11.7600
            15  C8y C    28.5600  -11.0600
            16  C1y C    30.9400  -13.8600
            17  C1x C    32.2000  -13.1600
            18  C1z C    32.2000  -11.7600
            19  C1x C    30.9400  -11.0600
            20  O5x O    26.1100   -9.6600
            21  O5x O    26.1100  -15.2600
            22  O1a O    28.5600   -9.6600
            23  O1a O    28.5600  -15.2600
            24  C5a C    33.3900  -10.8500
            25  C1a C    34.5800  -11.5500
            26  O5a O    33.3900   -9.4500
            27  O1a O    33.3900  -12.6000
            28  O2a O    30.9400  -15.2600
            29  C1y C    32.1300  -15.9600
            30  C1x C    32.1300  -17.3600
            31  C1y C    33.3900  -18.0600
            32  C1y C    34.5800  -17.3600
            33  C1y C    34.5800  -15.9600
            34  O2x O    33.3900  -15.2600
            35  C1a C    35.7700  -15.2600
            36  O1a O    35.7700  -18.0600
            37  N1a N    33.3900  -19.4600
BOND        40
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   11  20 2
            23    8  21 2
            24   15  22 1
            25   12  23 1
            26   18  24 1 #Up
            27   24  25 1
            28   24  26 2
            29   18  27 1 #Down
            30   16  28 1 #Down
            31   29  28 1 #Down
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   29  34 1
            38   33  35 1 #Up
            39   32  36 1 #Up
            40   31  37 1 #Up

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