KEGG   DRUG: LetrozoleHelp
Entry
D00964                      Drug                                   

Name
Letrozole (JAN/USP/INN);
Femara (TN)
Product
  Generic
Formula
C17H11N5
Exact mass
285.1014
Mol weight
285.3027
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01596  Aromatase inhibitor
 DG01524  Triazole antineoplastic
Cyp substrate
 DG01638  CYP2A6 substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01525  CYP2A6 inhibitor
Remark
Same as: 
Therapeutic category: 
ATC code: 
Activity
Antineoplastic, Estrogen biosynthesis inhibitor
  Disease
Breast cancer (postmenopausal) [DS:H00031]
Comment
Aromatase inhibitor
Target
CYP19A1 (ARO) [HSA:1588] [KO:K07434]
  Pathway
Steroid hormone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2A6 [HSA:1548]
Interaction
Genomic biomarker: ESR [HSA:2099 2100], PGR [HSA:5241]
CYP inhibition: CYP2A6 [HSA:1548]
Drug interaction
Structure map
Antineoplastics - hormones
Other map
Endocrine resistance
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BG Aromatase inhibitors
     L02BG04 Letrozole
      D00964  Letrozole (JAN/USP/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Aromatase Inhibitors, 3rd Generation
   Letrozole
    D00964  Letrozole (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00964  Letrozole (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   aromatase
    Letrozole
     D00964  Letrozole (JAN/USP/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2A6
   Letrozole
    D00964  Letrozole (JAN/USP/INN)
 CYP substrates
  CYP2A6
   Letrozole
    D00964  Letrozole (JAN/USP/INN)
  CYP3A4
   Letrozole
    D00964  Letrozole (JAN/USP/INN)
Antineoplastics [br08340.html]
 D00964
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00964
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D00964
BRITE hierarchy
Other DBs
CAS: 
112809-51-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1c C    25.6900  -19.1281
            2   C8y C    26.8966  -19.8333
            3   C8y C    24.4834  -19.8276
            4   N4y N    25.6957  -17.7232
            5   C8x C    26.8907  -21.2381
            6   C8x C    28.1149  -19.1338
            7   C8x C    24.4834  -21.2266
            8   C8x C    23.2710  -19.1222
            9   C8x C    24.5650  -16.9072
            10  N5x N    26.8326  -16.9072
            11  C8x C    28.1033  -21.9376
            12  C8x C    29.3273  -19.8450
            13  C8x C    23.2710  -21.9259
            14  C8x C    22.0527  -19.8276
            15  N5x N    25.0022  -15.5723
            16  C8x C    26.4069  -15.5723
            17  C8y C    29.3216  -21.2498
            18  C8y C    22.0527  -21.2266
            19  C3b C    30.5165  -21.9435
            20  C3b C    20.8402  -21.9202
            21  N3a N    31.7172  -22.6371
            22  N3a N    19.6394  -22.6430
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 2
            15   10  16 2
            16   11  17 2
            17   13  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 3
            21   20  22 3
            22   12  17 1
            23   14  18 1
            24   15  16 1

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