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 search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01596  Aromatase inhibitor
 DG01524  Triazole antineoplastic
Enzyme substrate
 DG01638  CYP2A6 substrate
 DG01633  CYP3A substrate
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 [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]
Drug interaction
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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP19A1 (ARO)
     D00964  Letrozole (JAN/USP/INN) <JP/US>
Antineoplastics [br08340.html]
 D00964
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00964
Pharmacogenomic biomarkers [br08341.html]
 Companion diagnostics
  D00964
BRITE hierarchy
Other DBs
CAS: 112809-51-5
PubChem: 7848027
ChEBI: 6413
ChEMBL: CHEMBL1444
DrugBank: DB01006
LigandBox: D00964
NIKKAJI: J390.644B
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

» Japanese version   » Back

DBGET integrated database retrieval system