KEGG   DRUG: Epirubicin
Entry
D07901                      Drug                                   
Name
Epirubicin (INN);
Farmorubicin (TN)
Formula
C27H29NO11
Exact mass
543.1741
Mol weight
543.5193
Structure
Simcomp
Source
Streptomyces peucetius [TAX:1950]
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Same as: C11230
ATC code: L01DB03
Chemical structure group: DG00698
Product (DG00698): D02214<JP/US>
Efficacy
Antibiotic, Antineoplastic, Topoisomerase II inhibitor
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
Other map
map04976  Bile secretion
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
     L01DB03 Epirubicin
      D07901  Epirubicin (INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00698  Epirubicin
    D07901  Epirubicin
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00698  Epirubicin
     D07901  Epirubicin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D07901  Epirubicin (INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00698  Epirubicin
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00698  Epirubicin
Other DBs
CAS: 56420-45-2
PubChem: 96024597
ChEBI: 47898
PDB-CCD: DM6[PDBj]
LigandBox: D07901
NIKKAJI: J81.933F
LinkDB
KCF data

ATOM        39
            1   C8x C    17.5000  -15.1200
            2   C8x C    17.5000  -16.5200
            3   C8y C    18.6900  -17.2200
            4   C8y C    19.9500  -16.5200
            5   C8y C    19.9500  -15.1200
            6   C8x C    18.6900  -14.4200
            7   C5x C    21.1400  -17.2200
            8   C8y C    22.3300  -16.5200
            9   C8y C    22.3300  -15.1200
            10  C5x C    21.1400  -14.4200
            11  C8y C    23.5900  -17.2200
            12  C8y C    24.7800  -16.5200
            13  C8y C    24.7800  -15.1200
            14  C8y C    23.5900  -14.4200
            15  C1y C    25.9700  -17.2200
            16  C1x C    27.2300  -16.5200
            17  C1z C    27.2300  -15.1200
            18  C1x C    25.9700  -14.4200
            19  O2a O    18.6900  -18.6200
            20  C1a C    17.5000  -19.3200
            21  O5x O    21.1400  -18.6200
            22  O5x O    21.1400  -13.0200
            23  O1a O    23.5900  -13.0200
            24  O1a O    23.5900  -18.6200
            25  O2a O    25.9700  -18.6200
            26  C1y C    27.1600  -19.3200
            27  C5a C    28.4200  -14.4200
            28  C1b C    29.6100  -15.1200
            29  O1a O    30.8000  -14.4200
            30  O5a O    28.4200  -13.0200
            31  O1a O    28.4200  -15.8200
            32  C1x C    27.1600  -20.7200
            33  C1y C    28.4200  -21.4200
            34  C1y C    29.6100  -20.7200
            35  C1y C    29.6100  -19.3200
            36  O2x O    28.4200  -18.6200
            37  N1a N    28.4200  -22.8200
            38  C1a C    30.8000  -18.6200
            39  O1a O    30.8000  -21.4200
BOND        43
            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    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   28  29 1
            33   27  30 2
            34   17  31 1 #Down
            35   26  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   26  36 1
            41   33  37 1 #Up
            42   35  38 1 #Up
            43   34  39 1 #Down

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KEGG   DRUG: Epirubicin hydrochloride
Entry
D02214                      Drug                                   
Name
Epirubicin hydrochloride (JP18/USP);
EPI;
Ellence (TN)
Product
  Generic
Formula
C27H29NO11. HCl
Exact mass
579.1507
Mol weight
579.9802
Structure
Simcomp
Class
Antineoplastic
 DG01682  Anthracycline antineoplastic
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Therapeutic category: 4235
ATC code: L01DB03
Chemical structure group: DG00698
Product (DG00698): D02214<JP/US>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
  Disease
Breast cancer [DS:H00031]
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
Other map
map04976  Bile secretion
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
     L01DB03 Epirubicin
      D02214  Epirubicin 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
     D02214  Epirubicin hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00698  Epirubicin
    D02214  Epirubicin hydrochloride
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00698  Epirubicin
     D02214  Epirubicin hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D02214  Epirubicin hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02214  Epirubicin hydrochloride
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02214
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02214
Drug groups [BR:br08330]
 Antineoplastic
  DG01682  Anthracycline antineoplastic
   DG00698  Epirubicin
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00698  Epirubicin
Other DBs
CAS: 56390-09-1
PubChem: 7849274
LigandBox: D02214
NIKKAJI: J300.120B
LinkDB
KCF data

ATOM        40
            1   C8x C     8.6100   -4.6900
            2   C8x C     8.6100   -6.0900
            3   C8y C     9.8000   -6.7900
            4   C8y C    11.0600   -6.0900
            5   C8y C    11.0600   -4.6900
            6   C8x C     9.8000   -3.9900
            7   C5x C    12.2500   -6.7900
            8   C8y C    13.4400   -6.0900
            9   C8y C    13.4400   -4.6900
            10  C5x C    12.2500   -3.9900
            11  C8y C    14.7000   -6.7900
            12  C8y C    15.8900   -6.0900
            13  C8y C    15.8900   -4.6900
            14  C8y C    14.7000   -3.9900
            15  C1y C    17.0800   -6.7900
            16  C1x C    18.3400   -6.0900
            17  C1z C    18.3400   -4.6900
            18  C1x C    17.0800   -3.9900
            19  O2a O     9.8000   -8.1900
            20  C1a C     8.6100   -8.8900
            21  O5x O    12.2500   -8.1900
            22  O5x O    12.2500   -2.5900
            23  O1a O    14.7000   -2.5900
            24  O1a O    14.7000   -8.1900
            25  O2a O    17.0800   -8.1900
            26  C1y C    18.2700   -8.8900
            27  C5a C    19.5300   -3.9900
            28  C1b C    20.7200   -4.6900
            29  O1a O    21.9100   -3.9900
            30  O5a O    19.5300   -2.5900
            31  O1a O    19.5300   -5.3900
            32  C1x C    18.2700  -10.2900
            33  C1y C    19.5300  -10.9900
            34  C1y C    20.7200  -10.2900
            35  C1y C    20.7200   -8.8900
            36  O2x O    19.5300   -8.1900
            37  N1a N    19.5472  -12.3899
            38  C1a C    21.9353   -8.1949
            39  O1a O    21.9353  -10.9851
            40  X   Cl   13.6500  -10.7800
BOND        43
            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    3  19 1
            23   19  20 1
            24    7  21 2
            25   10  22 2
            26   14  23 1
            27   11  24 1
            28   26  25 1 #Down
            29   15  25 1 #Down
            30   17  27 1 #Up
            31   27  28 1
            32   28  29 1
            33   27  30 2
            34   17  31 1 #Down
            35   26  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   26  36 1
            41   33  37 1 #Up
            42   35  38 1 #Up
            43   34  39 1 #Down

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