KEGG   DRUG: IdarubicinHelp
Entry
D08062                      Drug                                   

Name
Idarubicin (INN);
Zavedos (TN)
Formula
C26H27NO9
Exact mass
497.1686
Mol weight
497.4939
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Streptomyces peucetius [TAX:1950]
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
ATC code: L01DB06
Chemical structure group: DG00700
Product (DG00700): D01747<JP/US>
Efficacy
Antibiotic, Antineoplastic, Topoisomerase II inhibitor
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Drug 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
      D08062  Idarubicin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D08062  Idarubicin (INN)
BRITE hierarchy
Other DBs
CAS: 58957-92-9
PubChem: 96024754
ChEMBL: CHEMBL1117 CHEMBL25839
DrugBank: DB01177
PDB-CCD: DM5[PDBj]
LigandBox: D08062
NIKKAJI: J32.515E
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8x C    16.3100  -15.1900
            2   C8x C    16.3100  -16.5900
            3   C8x C    17.5000  -17.2900
            4   C8y C    18.7600  -16.5900
            5   C8y C    18.7600  -15.1900
            6   C8x C    17.5000  -14.5600
            7   C5x C    19.9500  -17.2900
            8   C8y C    21.1400  -16.5900
            9   C8y C    21.1400  -15.1900
            10  C5x C    19.9500  -14.5600
            11  C8y C    22.4000  -17.2900
            12  C8y C    23.5900  -16.5900
            13  C8y C    23.5900  -15.1900
            14  C8y C    22.4000  -14.5600
            15  C1y C    24.7800  -17.2900
            16  C1x C    26.0400  -16.5900
            17  C1z C    26.0400  -15.1900
            18  C1x C    24.7800  -14.5600
            19  O5x O    19.9500  -13.1600
            20  O5x O    19.9500  -18.6900
            21  O1a O    22.4000  -13.1600
            22  O1a O    22.4000  -18.6900
            23  C5a C    27.2300  -14.3500
            24  C1a C    28.3500  -14.9800
            25  O5a O    27.2300  -12.9500
            26  O1a O    27.2300  -16.0300
            27  O2a O    24.7800  -18.6900
            28  C1y C    25.9700  -19.3900
            29  C1x C    25.9700  -20.7900
            30  C1y C    27.2300  -21.4900
            31  C1y C    28.3500  -20.7900
            32  C1y C    28.3500  -19.3900
            33  O2x O    27.2300  -18.6900
            34  C1a C    29.5400  -18.6900
            35  O1a O    29.5400  -21.4900
            36  N1a N    27.2300  -22.8900
BOND        40
            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   10  19 2
            23    7  20 2
            24   14  21 1
            25   11  22 1
            26   17  23 1 #Up
            27   23  24 1
            28   23  25 2
            29   17  26 1 #Down
            30   15  27 1 #Down
            31   28  27 1 #Down
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   28  33 1
            38   32  34 1 #Up
            39   31  35 1 #Up
            40   30  36 1 #Up

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