KEGG   DRUG: Pirarubicin hydrochlorideHelp
Entry
D08386                      Drug                                   

Name
Pirarubicin hydrochloride;
Pinorubin (TN);
Therarubicin (TN)
Formula
C32H37NO12. HCl
Exact mass
663.2083
Mol weight
664.0966
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: L01DB08
Chemical structure group: DG00702
Product (DG00702): D08386<JP>
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
     L01DB08 Pirarubicin
      D08386  Pirarubicin hydrochloride <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4235  Anthracycline antibiotics
     D08386  Pirarubicin hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D08386  Pirarubicin hydrochloride <JP>
Antineoplastics [br08340.html]
 D08386
BRITE hierarchy
Other DBs
CAS: 95343-20-7
PubChem: 96025072
LigandBox: D08386
NIKKAJI: J524.929E
LinkDB All DBs
KCF data Show

ATOM        46
            1   C1y C    30.1700  -20.7200
            2   O2x O    31.4300  -21.4200
            3   C1x C    32.6200  -20.7200
            4   C1x C    32.6900  -19.3200
            5   C1x C    31.3600  -18.6200
            6   C1x C    30.1700  -19.3200
            7   C8x C    15.6800  -15.1200
            8   C8x C    15.6800  -16.5200
            9   C8y C    16.8700  -17.2200
            10  C8y C    18.1300  -16.5200
            11  C8y C    18.1300  -15.1200
            12  C8x C    16.8700  -14.4200
            13  C5x C    19.3200  -17.2200
            14  C8y C    20.5100  -16.5200
            15  C8y C    20.5100  -15.1200
            16  C5x C    19.3200  -14.4200
            17  C8y C    21.7700  -17.2200
            18  C8y C    22.9600  -16.5200
            19  C8y C    22.9600  -15.1200
            20  C8y C    21.7700  -14.4200
            21  C1y C    24.1500  -17.2200
            22  C1x C    25.4100  -16.5200
            23  C1z C    25.4100  -15.1200
            24  C1x C    24.1500  -14.4200
            25  O2a O    16.8700  -18.6200
            26  C1a C    15.6800  -19.3200
            27  O5x O    19.3200  -18.6200
            28  O5x O    19.3200  -13.0200
            29  O1a O    21.7700  -13.0200
            30  O1a O    21.7700  -18.6200
            31  O2a O    24.1500  -18.6200
            32  C1y C    25.3400  -19.3200
            33  C5a C    26.6000  -14.4200
            34  C1b C    27.7900  -15.1200
            35  O1a O    28.9800  -14.4200
            36  O5a O    26.6000  -13.0200
            37  O1a O    26.6000  -15.8200
            38  C1x C    25.3400  -20.7200
            39  C1y C    26.6000  -21.4200
            40  C1y C    27.7900  -20.7200
            41  C1y C    27.7900  -19.3200
            42  O2x O    26.6000  -18.6200
            43  N1a N    26.6000  -22.8200
            44  C1a C    28.9800  -18.6200
            45  O2a O    28.9800  -21.4200
            46  X   Cl   33.3200  -16.8000
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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