KEGG   DRUG: Lonidamine
Entry
D07257                      Drug                                   
Name
Lonidamine (INN);
Doridamina (TN)
Formula
C15H10Cl2N2O2
Exact mass
320.0119
Mol weight
321.1581
Structure
Remark
ATC code: L01XX07
Efficacy
Antineoplastic
Target
HK [HSA:3098 3099 3101 80201] [KO:K00844]
  Pathway
hsa00010  Glycolysis / Gluconeogenesis
hsa05230  Central carbon metabolism in cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX07 Lonidamine
      D07257  Lonidamine (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    HK
     D07257  Lonidamine (INN)
Other DBs
CAS: 50264-69-2
PubChem: 51091595
ChEBI: 50138
LigandBox: D07257
NIKKAJI: J10.376D
KCF data

ATOM        21
            1   C8x C    22.0500  -19.9500
            2   C8x C    22.0500  -18.5500
            3   C8x C    23.3100  -17.8500
            4   C8y C    24.5000  -18.5500
            5   C8y C    24.5000  -19.9500
            6   C8x C    23.3100  -20.6500
            7   N4y N    25.8300  -18.1300
            8   N5x N    26.6700  -19.2500
            9   C8y C    25.8300  -20.3700
            10  C6a C    26.2500  -21.7000
            11  O6a O    27.6500  -21.9800
            12  O6a O    25.3400  -22.7500
            13  C1b C    26.2500  -16.8000
            14  C8y C    27.6499  -16.7847
            15  C8y C    28.3699  -18.0007
            16  C8x C    29.7698  -17.9854
            17  C8y C    30.4565  -16.7653
            18  C8x C    29.7365  -15.5493
            19  C8x C    28.3366  -15.5647
            20  X   Cl   31.8500  -16.8053
            21  X   Cl   28.3518  -19.3828
BOND        23
            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 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   10  12 2
            14    7  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   17  20 1
            23   15  21 1

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