KEGG   DRUG: PirarubicinHelp
Entry
D01885                      Drug                                   

Name
Pirarubicin (JP17/INN);
Therarubicin (TN)
Formula
C32H37NO12
Exact mass
627.2316
Mol weight
627.6357
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: L01DB08
Chemical structure group: DG00702
Product (DG00702): D08386<JP>
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
Anthracyclines (semisynthetic)
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
     L01DB08 Pirarubicin
      D01885  Pirarubicin (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D01885  Pirarubicin (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01885  Pirarubicin
BRITE hierarchy
Other DBs
CAS: 72496-41-4
PubChem: 7848947
ChEBI: 32011
ChEMBL: CHEMBL1398373
LigandBox: D01885
NIKKAJI: J22.798F
LinkDB All DBs
KCF data Show

ATOM        45
            1   C1y C    45.7100  -16.0300
            2   O2x O    46.9281  -16.7201
            3   C1x C    48.1348  -16.0103
            4   C1x C    48.1934  -14.6103
            5   C1x C    46.9053  -13.9202
            6   C1x C    45.6986  -14.6300
            7   C8x C    31.2200  -10.4300
            8   C8x C    31.2200  -11.8300
            9   C8y C    32.4100  -12.5300
            10  C8y C    33.6700  -11.8300
            11  C8y C    33.6700  -10.4300
            12  C8x C    32.4100   -9.7300
            13  C5x C    34.8600  -12.5300
            14  C8y C    36.0500  -11.8300
            15  C8y C    36.0500  -10.4300
            16  C5x C    34.8600   -9.7300
            17  C8y C    37.3100  -12.5300
            18  C8y C    38.5000  -11.8300
            19  C8y C    38.5000  -10.4300
            20  C8y C    37.3100   -9.7300
            21  C1y C    39.6900  -12.5300
            22  C1x C    40.9500  -11.8300
            23  C1z C    40.9500  -10.4300
            24  C1x C    39.6900   -9.7300
            25  O2a O    32.4100  -13.9300
            26  C1a C    31.2200  -14.6300
            27  O5x O    34.8600  -13.9300
            28  O5x O    34.8600   -8.3300
            29  O1a O    37.3100   -8.3300
            30  O1a O    37.3100  -13.9300
            31  O2a O    39.6900  -13.9300
            32  C1y C    40.8800  -14.6300
            33  C5a C    42.1400   -9.7300
            34  C1b C    43.3300  -10.4300
            35  O1a O    44.5200   -9.7300
            36  O5a O    42.1400   -8.3300
            37  O1a O    42.1400  -11.1300
            38  C1x C    40.8800  -16.0300
            39  C1y C    42.1400  -16.7300
            40  C1y C    43.3300  -16.0300
            41  C1y C    43.3300  -14.6300
            42  O2x O    42.1400  -13.9300
            43  N1a N    42.1400  -18.1300
            44  C1a C    44.5200  -13.9300
            45  O2a O    44.5200  -16.7300
BOND        50
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   10  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   14  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 2
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28    9  25 1
            29   25  26 1
            30   13  27 2
            31   16  28 2
            32   20  29 1
            33   17  30 1
            34   32  31 1 #Down
            35   21  31 1 #Down
            36   23  33 1 #Up
            37   33  34 1
            38   34  35 1
            39   33  36 2
            40   23  37 1 #Down
            41   32  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   41  42 1
            46   32  42 1
            47   39  43 1 #Up
            48   41  44 1 #Up
            49   40  45 1 #Up
            50    1  45 1 #Up

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