KEGG   DRUG: TioguanineHelp
Entry
D08603                      Drug                                   

Name
Tioguanine (INN);
Lanvis (TN)
Formula
C5H5N5S
Exact mass
167.0266
Mol weight
167.1917
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Remark
Same as: C07648
ATC code: L01BB03
Chemical structure group: DG00684
Product (DG00684): D06109<US>
Efficacy
Antineoplastic, Antimetabolite
Comment
Guanine [CPD:C00242] analog
Target
HPRT1 [HSA:3251] [KO:K00760]
  Pathway
hsa00230  Purine metabolism
Interaction
Drug interaction
Other map
map00983  Drug metabolism - other enzymes
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BB Purine analogues
     L01BB03 Tioguanine
      D08603  Tioguanine (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antimetabolites
   Thioguanine
    D08603  Tioguanine (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    HPRT1
     D08603  Tioguanine (INN)
BRITE hierarchy
Other DBs
CAS: 154-42-7
PubChem: 96025287
ChEBI: 9555
ChEMBL: CHEMBL727
DrugBank: DB00352
PDB-CCD: DX4[PDBj]
LigandBox: D08603
NIKKAJI: J21.274A
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    23.3800  -17.1500
            2   C8y C    23.3800  -18.6200
            3   C8y C    24.5700  -16.4500
            4   N5x N    22.1200  -16.7300
            5   N5x N    24.5700  -19.2500
            6   N4x N    22.1200  -19.0400
            7   N4x N    25.8300  -17.2200
            8   C8x C    21.2800  -17.9200
            9   C8y C    25.8300  -18.5500
            10  S0  S    24.5818  -15.0500
            11  N1a N    27.0366  -19.2600
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6   8 1
            10    7   9 1
            11    3  10 2
            12    9  11 1

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