Idarubicin hydrochloride


Entry
D01747                      Drug                                   
Name
Idarubicin hydrochloride (JP18/USP);
Idamycin (TN)
Product
IDAMYCIN PFS (Pfizer Laboratories Div Pfizer)
  Generic
IDARUBICIN HYDROCHLORIDE (Hikma Pharmaceuticals USA), IDARUBICIN HYDROCHLORIDE (Hikma Pharmaceuticals USA), IDARUBICIN HYDROCHLORIDE (Teva Parenteral Medicines)
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
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