KEGG   DRUG: PentostatinHelp
Entry
D00155                      Drug                                   

Name
Pentostatin (JAN/USAN/INN);
Nipent (TN)
Product
Formula
C11H16N4O4
Exact mass
268.1172
Mol weight
268.2691
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Streptomyces antibioticus [TAX:1890]
Class
Antineoplastic
 DG01500  Adenosine deaminase inhibitor
 DG01958  Nucleic acid derivative, antineoplastic
 DG02018  Antimetabolite
  DG01958  Nucleic acid derivative, antineoplastic
Remark
Same as: C02267
Therapeutic category: 4291
ATC code: L01XX08
Product: D00155<JP/US>
Efficacy
Antineoplastic, Potentiator
  Disease
Hairy-cell leukemia [DS:H00006]
Target
ADA [HSA:100] [KO:K01488]
  Pathway
hsa00230  Purine metabolism
Interaction
Drug interaction
Structure map
map07041  Antineoplastics - antimetabolic agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX08 Pentostatin
      D00155  Pentostatin (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00155  Pentostatin (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Adenosine deaminase
    ADA
     D00155  Pentostatin (JAN/USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D00155
BRITE hierarchy
Other DBs
CAS: 53910-25-1
PubChem: 7847223
ChEMBL: CHEMBL1580
DrugBank: DB00552
PDB-CCD: DCF[PDBj]
LigandBox: D00155
NIKKAJI: J10.843J
LinkDB All DBs
KCF data Show

ATOM        19
            1   C1y C    24.9687  -16.6452
            2   C1x C    24.5490  -17.9741
            3   O2x O    23.8496  -15.8059
            4   C1y C    22.7305  -16.6452
            5   C1y C    23.1502  -17.9741
            6   O1a O    22.3109  -19.0931
            7   C1b C    21.4016  -16.1556
            8   O1a O    21.1219  -14.8267
            9   N4y N    26.2976  -16.2255
            10  N2x N    27.3456  -18.5668
            11  C8y C    27.3651  -17.0139
            12  C8y C    28.4118  -16.1922
            13  C1y C    29.9137  -16.5040
            14  C2x C    28.5105  -19.3721
            15  C1x C    30.4494  -17.7520
            16  N1x N    29.8792  -19.0081
            17  N5x N    28.0308  -14.9210
            18  C8x C    26.5754  -14.9185
            19  O1a O    30.7191  -15.3391
BOND        21
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     2   5 1
            6     5   6 1 #Down
            7     4   7 1 #Up
            8     7   8 1
            9     1   9 1 #Up
            10   12  13 1
            11   10  14 2
            12   13  15 1
            13   11  12 2
            14   14  16 1
            15   10  11 1
            16   15  16 1
            17   12  17 1
            18   17  18 2
            19   18   9 1
            20   11   9 1
            21   13  19 1 #Down

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