KEGG   DRUG: Mercaptopurine
Entry
D00161                      Drug                                   

Name
Mercaptopurine (USP);
Mercaptopurine hydrate (JP18);
Purinethol (TN);
Purixan (TN)
Product
  Generic
Formula
C5H4N4S. H2O
Exact mass
170.0262
Mol weight
170.1923
Structure
Simcomp
Class
Antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Remark
Therapeutic category: 4221
ATC code: L01BB02
Chemical structure group: DG00683
Product (DG00683): D00161<JP/US>
Efficacy
Antineoplastic, Antimetabolite
  Disease
Acute lymphoblastic leukemia [DS:H00001 H00002]
Target
HPRT1 [HSA:3251] [KO:K00760]
  Pathway
hsa00230  Purine metabolism
Interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
map07046  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) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   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 (JP18)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG00683  Mercaptopurine
     D00161  Mercaptopurine
Drug classes [BR:br08332]
 Antineoplastic
  DG02018  Antimetabolite
   D00161  Mercaptopurine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    HPRT1
     D00161  Mercaptopurine (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00161  Mercaptopurine hydrate
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00161
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00161
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG00683  Mercaptopurine
Other DBs
CAS: 6112-76-1
PubChem: 7847229
ChEBI: 31822
ChEMBL: CHEMBL1200751
DrugBank: DB01033
LigandBox: D00161
NIKKAJI: J237.458G
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Mercaptopurine
Entry
D04931                      Drug                                   

Name
Mercaptopurine (INN);
Mercaptopurine anhydrous;
Purinethol (TN)
Formula
C5H4N4S
Exact mass
152.0157
Mol weight
152.1771
Structure
Simcomp
Class
Antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Remark
Same as: C02380
ATC code: L01BB02
Chemical structure group: DG00683
Product (DG00683): D00161<JP/US>
Efficacy
Antineoplastic, Antimetabolite
Target
HPRT1 [HSA:3251] [KO:K00760]
  Pathway
hsa00230  Purine metabolism
Interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
map07046  Immunosuppressive agents
Other map
map00983  Drug metabolism - other enzymes
map04976  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)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG00683  Mercaptopurine
     D04931  Mercaptopurine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    HPRT1
     D04931  Mercaptopurine (INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02018  Antimetabolite
   DG01958  Nucleic acid derivative, antineoplastic
    DG00683  Mercaptopurine
Other DBs
CAS: 50-44-2
PubChem: 47206682
ChEBI: 50667
ChEMBL: CHEMBL1425
DrugBank: DB01033
PDB-CCD: PM6[PDBj]
LigandBox: D04931
NIKKAJI: J2.298E
LinkDB
KCF data

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

» Japanese version   » Back

DBGET integrated database retrieval system