KEGG   DRUG: MercaptopurineHelp
Entry
D00161                      Drug                                   

Name
Mercaptopurine (USP);
Mercaptopurine hydrate (JP17);
Purinethol (TN)
Product
  Generic
Formula
C5H4N4S. H2O
Exact mass
170.0262
Mol weight
170.1923
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
Unclassified
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Antimetabolite
  Disease
Acute lymphoblastic leukemia [DS:H00001 H00002]
Interaction
Genomic biomarker: TPMT [HSA:7172]
Drug interaction
Structure map
Antineoplastics - antimetabolic agents
Immunosuppressive agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BB Purine analogues
     L01BB02 Mercaptopurine
      D00161  Mercaptopurine (USP)
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Mercaptopurine
    D00161  Mercaptopurine (USP)
 Immunological Agents
  Immune Suppressants
   Mercaptopurine
    D00161  Mercaptopurine (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4221  Mercaptopurines
     D00161  Mercaptopurine (USP); Mercaptopurine hydrate (JP17)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  SLC28A2
   Mercaptopurine
    D00161  Mercaptopurine (USP)
  SLC28A3
   Mercaptopurine
    D00161  Mercaptopurine (USP)
  SLC29A1
   Mercaptopurine
    D00161  Mercaptopurine (USP)
  SLC29A2
   Mercaptopurine
    D00161  Mercaptopurine (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00161  Mercaptopurine hydrate
Antineoplastics [br08340.html]
 D00161
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00161
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D00161
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D00161
BRITE hierarchy
Other DBs
CAS: 
6112-76-1
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        11
            1   O0  O    27.8600  -17.0568
            2   C8y C    22.6100  -16.9400
            3   C8y C    22.6100  -18.3400
            4   C8y C    23.8000  -16.2400
            5   N4x N    23.8000  -19.0400
            6   N5x N    24.9900  -16.9400
            7   S0  S    23.8000  -14.8400
            8   C8x C    24.9900  -18.3400
            9   N4x N    21.2100  -16.4500
            10  C8x C    20.4400  -17.6400
            11  N5x N    21.2100  -18.7600
BOND        11
            1     2   3 2
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 2
            6     5   8 1
            7     6   8 2
            8     2   9 1
            9     9  10 1
            10   10  11 2
            11    3  11 1

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