KEGG   DRUG: TezacitabineHelp
Entry
D06100                      Drug                                   

Name
Tezacitabine (USAN);
Tezacitabine monohydrate
Formula
C10H12FN3O4. H2O
Exact mass
275.0917
Mol weight
275.2337
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01958  Nucleic acid derivative, antineoplastic
  DG01439  Arabinofuranosyl type antineoplastic
 DG01439  Arabinofuranosyl type antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
   DG01439  Arabinofuranosyl type antineoplastic
Efficacy
Antineoplastic, Antimetabolite
Target
RRM1 [HSA:6240] [KO:K10807]
  Pathway
hsa00230  Purine metabolism
hsa00240  Pyrimidine metabolism
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Ribonucleoside-diphosphate reductase
    RRM1
     D06100  Tezacitabine (USAN)
BRITE hierarchy
Other DBs
CAS: 171176-43-5
PubChem: 47207758
ChEMBL: CHEMBL3989496
LigandBox: D06100
KCF data Show

ATOM        19
            1   C1y C    31.3641  -16.6552
            2   O2x O    30.2453  -15.8508
            3   C1y C    29.0727  -16.6787
            4   C1y C    29.5154  -17.9855
            5   C2y C    30.9422  -17.9965
            6   C2b C    31.7699  -19.1691
            7   X   F    31.2253  -20.4134
            8   O1a O    28.7110  -19.1043
            9   N5x N    35.1128  -16.1543
            10  C8y C    35.1465  -14.7557
            11  C8x C    33.9395  -14.0871
            12  C8x C    32.6989  -14.8190
            13  N4y N    32.6709  -16.2126
            14  C8y C    33.9419  -16.8844
            15  O5x O    33.9782  -18.2831
            16  N1a N    36.3173  -14.0256
            17  C1b C    27.7314  -16.2568
            18  O1a O    26.6816  -17.1816
            19  O0  O    36.4479  -19.7258
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     6   7 1
            8     4   8 1 #Down
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15   14  15 2
            16   10  16 1
            17    1  13 1 #Up
            18    3  17 1 #Up
            19   17  18 1

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