KEGG   DRUG: Exemestane
Entry
D00963                      Drug                                   

Name
Exemestane (JAN/USP/INN);
Aromasin (TN)
Product
  Generic
Formula
C20H24O2
Exact mass
296.1776
Mol weight
296.4034
Structure
Simcomp
Class
Antineoplastic
 DG01596  Aromatase inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C08162
Therapeutic category: 4291
ATC code: L02BG06
Product: D00963<JP/US>
Efficacy
Antineoplastic, Estrogen biosynthesis inhibitor
  Disease
Breast cancer, postmenopausal (ER-positive) [DS:H00031]
Comment
Aromatase inhibitor
Target
CYP19A1 (ARO) [HSA:1588] [KO:K07434]
  Pathway
hsa00140  Steroid hormone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
     L02BG06 Exemestane
      D00963  Exemestane (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Aromatase Inhibitors, 3rd Generation
   Exemestane
    D00963  Exemestane (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00963  Exemestane (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP19A1 (ARO)
     D00963  Exemestane (JAN/USP/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00963
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00963
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00963
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00963
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D00963
Other DBs
CAS: 107868-30-4
PubChem: 7848026
ChEBI: 4953
ChEMBL: CHEMBL1200374
DrugBank: DB00990
PDB-CCD: EXM[PDBj]
LigandBox: D00963
NIKKAJI: J367.471A
LinkDB
KCF data

ATOM        22
            1   C2x C    12.2500  -16.2400
            2   C5x C    12.2500  -17.6400
            3   C2x C    13.4624  -18.3400
            4   C2y C    14.6749  -17.6400
            5   C1z C    14.6749  -16.2400
            6   C2x C    13.4624  -15.5400
            7   C2y C    15.8873  -18.3400
            8   C1x C    17.0997  -17.6400
            9   C1y C    17.0997  -16.2400
            10  C1y C    15.8873  -15.5400
            11  C1y C    18.3122  -15.5400
            12  C1z C    18.3122  -14.1400
            13  C1x C    17.0997  -13.4400
            14  C1x C    15.8873  -14.1400
            15  C1x C    20.7370  -15.5400
            16  C1x C    20.7370  -14.1400
            17  C5x C    19.5246  -13.4400
            18  O5x O    19.5246  -12.0400
            19  O5x O    11.0376  -18.3400
            20  C2a C    15.8873  -19.7400
            21  C1a C    14.6749  -14.8400
            22  C1a C    18.3122  -12.7400
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 2
            22    2  19 2
            23    7  20 2
            24    5  21 1 #Up
            25   12  22 1 #Up

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