KEGG   DRUG: Letrozole
Entry
D00964                      Drug                                   
Name
Letrozole (JAN/USP/INN);
Femara (TN)
Product
  Generic
Formula
C17H11N5
Exact mass
285.1014
Mol weight
285.3027
Structure
Simcomp
Class
Antineoplastic
 DG01596  Aromatase inhibitor
 DG01524  Triazole antineoplastic
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01525  CYP2A6 inhibitor
Remark
Same as: C08163
Therapeutic category: 4291
ATC code: L02BG04
Product: D00964<JP/US>
Product (mixture): D11068<US>
Efficacy
Antineoplastic, Estrogen biosynthesis inhibitor
  Disease
Breast cancer, postmenopausal (HR-positive) [DS:H00031]
Comment
Aromatase inhibitor
Target
CYP19A1 (ARO) [HSA:1588] [KO:K07434]
  Pathway
hsa00140  Steroid hormone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2A6 [HSA:1548]
Interaction
CYP inhibition: CYP2A6 [HSA:1548]
Structure map
map07043  Antineoplastics - hormones
Other map
map01522  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) <JP/US>
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)
Drug groups [BR:br08330]
 Antineoplastic
  DG01596  Aromatase inhibitor
   D00964  Letrozole
  DG01524  Triazole antineoplastic
   D00964  Letrozole
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   D00964  Letrozole
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D00964  Letrozole
 Metabolizing enzyme inhibitor
  DG01525  CYP2A6 inhibitor
   D00964  Letrozole
Drug classes [BR:br08332]
 Antineoplastic
  DG01596  Aromatase inhibitor
   D00964  Letrozole
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP19A1 (ARO)
     D00964  Letrozole (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00964
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00964
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D00964
Other DBs
CAS: 112809-51-5
PubChem: 7848027
ChEBI: 6413
LigandBox: D00964
NIKKAJI: J390.644B
LinkDB
KCF data

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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