KEGG   DRUG: D04931Help
Entry
D04931                      Drug                                   

Name
Mercaptopurine (INN);
Mercaptopurine anhydrous;
Purinethol (TN)
Formula
C5H4N4S
Exact mass
152.0157
Mol weight
152.1771
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
Same as: 
ATC code: 
Drug group: 
Metabolism
Transporter: SLC28A2 [HSA:9153], SLC28A3 [HSA:64078], SLC29A1 [HSA:2030], SLC29A2 [HSA:3177]
Interaction
Genomic biomarker: TPMT [HSA:7172]
Drug interaction
Structure map
Antineoplastics - antimetabolic agents
Immunosuppressive agents
Other map
Drug metabolism - other enzymes
Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BB Purine analogues
     L01BB02 Mercaptopurine
      D04931  Mercaptopurine (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Mercaptopurine
    D04931  Mercaptopurine (INN)
 Immunological Agents
  Immune Suppressants
   6-Mercaptopurine
    D04931  Mercaptopurine (INN)
Antineoplastics [BR:br08308]
 Antimetabolites
  Purine analogs
   Mercaptopurine
    D04931  Mercaptopurine (INN)
BRITE hierarchy
Other DBs
CAS: 
50-44-2
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        10
            1   C8y C    23.8700  -16.9400
            2   C8y C    23.8700  -18.2700
            3   C8y C    24.9900  -16.3100
            4   N4x N    24.9900  -18.9700
            5   N5x N    26.1100  -16.9400
            6   S0  S    24.9900  -14.9800
            7   C8x C    26.1100  -18.2700
            8   N4x N    22.6051  -16.5290
            9   C8x C    21.8233  -17.6050
            10  N5x N    22.6051  -18.6810
BOND        11
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     5   7 2
            8     1   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1

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