KEGG   DRUG: Elacestrant hydrochloride
Entry
D11672                      Drug                                   
Name
Elacestrant hydrochloride (USAN);
Elacestrant dihydrochloride;
Orserdu (TN)
Product
Formula
C30H38N2O2. 2HCl
Exact mass
530.2467
Mol weight
531.5568
Structure
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: L02BA04
Chemical structure group: DG03078
Product (DG03078): D11672<US>
Efficacy
Antineoplastic, Estrogen receptor antagonist
  Disease
Breast cancer (ER-positive, HER2 negative, ESR1-mutated) [DS:H00031]
Comment
Treatment of estrogen receptor-positive breast cancer
Target
NR3A1* (ESR1) [HSA_VAR:2099v2] [HSA:2099] [KO:K08550]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2A6 [HSA:1548], CYP2C9 [HSA:1559]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BA Anti-estrogens
     L02BA04 Elacestrant
      D11672  Elacestrant hydrochloride (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Elacestrant
    D11672  Elacestrant hydrochloride (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG03078  Elacestrant
    D11672  Elacestrant hydrochloride
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG03078  Elacestrant
    D11672  Elacestrant hydrochloride
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG03078  Elacestrant
    D11672  Elacestrant hydrochloride
  DG01642  CYP2C9 substrate
   DG03078  Elacestrant
    D11672  Elacestrant hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03078  Elacestrant
     D11672  Elacestrant hydrochloride
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1* (ESR1) [HSA_VAR:2099v2]
     D11672  Elacestrant hydrochloride (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11672
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11672
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11672
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11672
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11672
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG03078  Elacestrant
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG03078  Elacestrant
 Metabolizing enzyme substrate
  DG01638  CYP2A6 substrate
   DG03078  Elacestrant
  DG01642  CYP2C9 substrate
   DG03078  Elacestrant
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03078  Elacestrant
Other DBs
CAS: 1349723-93-8
PubChem: 405226539
LinkDB
KCF data

ATOM        36
            1   C8x C    10.2001  -15.8589
            2   C8y C    10.2001  -17.2561
            3   C8x C    11.4576  -17.9547
            4   C8y C    12.6453  -17.2561
            5   C8y C    12.6453  -15.8589
            6   C8x C    11.4576  -15.1602
            7   C1x C    13.9028  -17.9547
            8   C1x C    15.0905  -17.2561
            9   C1y C    15.0905  -15.8589
            10  C1x C    13.9028  -15.1602
            11  C8y C    16.2782  -15.1602
            12  O1a O     9.0124  -17.9547
            13  C8y C    17.4658  -15.8589
            14  C8x C    18.7234  -15.1602
            15  C8y C    18.7234  -13.7630
            16  C8x C    17.5357  -13.0643
            17  C8x C    16.2782  -13.7630
            18  O2a O    19.9110  -12.9945
            19  C1a C    21.1686  -13.6931
            20  N1c N    17.4658  -17.2561
            21  C1b C    18.6535  -17.9547
            22  C1b C    16.2782  -17.9547
            23  C1a C    16.2782  -19.3520
            24  C8y C    19.8412  -17.2561
            25  C8x C    21.0987  -17.9547
            26  C8x C    22.2864  -17.2561
            27  C8y C    22.2864  -15.8589
            28  C8x C    21.0987  -15.1602
            29  C8x C    19.8412  -15.8589
            30  C1b C    23.5439  -15.1602
            31  C1b C    24.7316  -15.8589
            32  N1b N    25.9192  -15.1602
            33  C1b C    27.1069  -15.8589
            34  C1a C    28.2946  -15.1602
            35  X   Cl   26.8800  -19.9500
            36  X   Cl   24.2200  -20.0200
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Down
            13    2  12 1
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1
            21   18  19 1
            22   13  20 1
            23   20  21 1
            24   20  22 1
            25   22  23 1
            26   21  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   24  29 1
            33   27  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1

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