KEGG   DRUG: Amrubicin hydrochlorideHelp
Entry
D07100                      Drug                                   

Name
Amrubicin hydrochloride (JAN/USAN);
Calsed (TN)
Formula
C25H25NO9. HCl
Exact mass
519.1296
Mol weight
519.9282
Structure
Mol fileKCF fileDB search
Simcomp 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
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
     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>
Antineoplastics [br08340.html]
 D07100
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
BRITE hierarchy
Other DBs
CAS: 110311-30-3
PubChem: 51091441
ChEMBL: CHEMBL481958
LigandBox: D07100
NIKKAJI: J364.427H
LinkDB All DBs
KCF data Show

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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