KEGG   DRUG: Amrubicin hydrochloride
Entry
D07100                      Drug                                   

Name
Amrubicin hydrochloride (JAN/USAN);
Calsed (TN)
Formula
C25H25NO9. HCl
Exact mass
519.1296
Mol weight
519.9282
Structure
Simcomp
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Therapeutic category: 4235
ATC code: L01DB10
Chemical structure group: DG00703
Product (DG00703): D07100<JP>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
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
     L01DB10 Amrubicin
      D07100  Amrubicin hydrochloride (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4235  Anthracycline antibiotics
     D07100  Amrubicin hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D07100  Amrubicin hydrochloride (JAN/USAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07100
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07100
Other DBs
CAS: 110311-30-3
PubChem: 51091441
ChEMBL: CHEMBL481958
LigandBox: D07100
NIKKAJI: J364.427H
LinkDB
KCF data

ATOM        36
            1   C8x C    20.2300  -15.6100
            2   C8x C    20.2300  -17.0100
            3   C8x C    21.4200  -17.7100
            4   C8y C    22.6800  -17.0100
            5   C8y C    22.6800  -15.6100
            6   C8x C    21.4200  -14.9100
            7   C5x C    23.8700  -17.7100
            8   C8y C    25.0600  -17.0100
            9   C8y C    25.0600  -15.6100
            10  C5x C    23.8700  -14.9100
            11  C8y C    26.3200  -17.7100
            12  C8y C    27.5100  -17.0100
            13  C8y C    27.5100  -15.6100
            14  C8y C    26.3200  -14.9100
            15  C1y C    28.7000  -17.7100
            16  C1x C    29.9600  -17.0100
            17  C1z C    29.9600  -15.6100
            18  C1x C    28.7000  -14.9100
            19  O5x O    23.8700  -19.1100
            20  O5x O    23.8700  -13.5100
            21  O1a O    26.3200  -13.5100
            22  O1a O    26.3200  -19.1100
            23  O2a O    28.7000  -19.1100
            24  C1y C    29.8900  -19.8100
            25  C5a C    31.1500  -14.9100
            26  C1a C    32.3400  -15.6100
            27  O5a O    31.1500  -13.5100
            28  N1a N    31.1500  -16.3100
            29  C1x C    29.8900  -21.2100
            30  C1y C    31.1500  -21.9100
            31  C1y C    32.3400  -21.2100
            32  C1x C    32.3400  -19.8100
            33  O2x O    31.1500  -19.1100
            34  O1a O    33.5553  -21.9051
            35  O1a O    31.1672  -23.3099
            36  X   Cl   35.7700  -17.2200
BOND        39
            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    7  19 2
            23   10  20 2
            24   14  21 1
            25   11  22 1
            26   24  23 1 #Down
            27   15  23 1 #Down
            28   17  25 1 #Up
            29   25  26 1
            30   25  27 2
            31   17  28 1 #Down
            32   24  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   24  33 1
            38   31  34 1 #Up
            39   30  35 1 #Up

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