KEGG   DRUG: MercaptopurineHelp
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
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
Unclassified
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Antimetabolite
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
   Mercaptopurine
    D04931  Mercaptopurine (INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  SLC28A2
   Mercaptopurine
    D04931  Mercaptopurine (INN)
  SLC28A3
   Mercaptopurine
    D04931  Mercaptopurine (INN)
  SLC29A1
   Mercaptopurine
    D04931  Mercaptopurine (INN)
  SLC29A2
   Mercaptopurine
    D04931  Mercaptopurine (INN)
BRITE hierarchy
Other DBs
CAS: 
50-44-2
PubChem: 
ChEBI: 
ChEMBL: 
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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