KEGG   DRUG: Bendamustine hydrochlorideHelp
Entry
D07085                      Drug                                   

Name
Bendamustine hydrochloride (JAN/USAN);
Treanda (TN);
Ribomustin (TN)
Product
Formula
C16H21Cl2N3O2. HCl
Exact mass
393.0778
Mol weight
394.7238
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01678  Nitrogen mustard analog
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Therapeutic category: 4219
ATC code: L01AA09
Chemical structure group: DG00678
Product (DG00678): D07085<JP/US>
Efficacy
Antineoplastic, Alkylating agent
  Disease
Chronic lymphocytic leukemia [DS:H00005]
Target
DNA
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AA Nitrogen mustard analogues
     L01AA09 Bendamustine
      D07085  Bendamustine hydrochloride (JAN/USAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   421  Alkylating agents
    4219  Others
     D07085  Bendamustine hydrochloride (JAN/USAN)
Antineoplastics [br08340.html]
 D07085
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D07085
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07085
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07085
BRITE hierarchy
Other DBs
CAS: 3543-75-7
PubChem: 51091427
ChEMBL: CHEMBL1201734
LigandBox: D07085
NIKKAJI: J327.616C
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    15.1026  -15.7232
            2   N1c N    13.9801  -16.4247
            3   C1b C    13.9800  -17.7577
            4   C1b C    12.7173  -15.7232
            5   C1b C    12.7173  -14.2498
            6   X   Cl   11.5246  -13.5483
            7   C1b C    15.1728  -18.4593
            8   X   Cl   15.1728  -19.8625
            9   C8x C    16.3218  -16.4177
            10  C8y C    17.5329  -15.7092
            11  C8y C    17.5249  -14.3061
            12  C8x C    16.3056  -13.6115
            13  C8x C    15.0946  -14.3200
            14  N5x N    18.8699  -16.1351
            15  C8y C    19.6882  -14.9952
            16  N4y N    18.8569  -13.8648
            17  C1b C    21.0657  -14.9878
            18  C1b C    21.7889  -16.2242
            19  C1b C    23.1708  -16.2163
            20  C6a C    23.8785  -17.4259
            21  O6a O    25.2756  -17.4178
            22  O6a O    23.1906  -18.6333
            23  C1a C    19.2765  -12.5498
            24  X   Cl   25.7667  -13.3378
BOND        24
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     3   7 1
            7     7   8 1
            8     1   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    1  13 1
            14   10  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 1
            18   15  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   16  23 1

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