KEGG   DRUG: Tioguanine
Entry
D08603                      Drug                                   

Name
Tioguanine (INN);
Lanvis (TN)
Formula
C5H5N5S
Exact mass
167.0266
Mol weight
167.1917
Structure
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
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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    HPRT1
     D08603  Tioguanine (INN)
Other DBs
CAS: 154-42-7
PubChem: 96025287
ChEBI: 9555
ChEMBL: CHEMBL727
DrugBank: DB00352
PDB-CCD: DX4[PDBj]
LigandBox: D08603
NIKKAJI: J21.274A
LinkDB
KCF data

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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