KEGG   DRUG: Ethinyl estradiol
Entry
D00554                      Drug                                   
Name
Ethinyl estradiol (USP);
Ethinylestradiol (JP19/INN);
Estinyl (TN)
Formula
C20H24O2
Exact mass
296.1776
Mol weight
296.40
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Remark
Same as: C07534
Therapeutic category: 2474
ATC code: G03CA01 L02AA03
Chemical structure group: DG00461
Product (DG00461): D00554<JP>
Product (mixture): D04460<US> D04463<JP/US> D04482<JP/US> D04483<JP/US> D04484<JP/US> D09741<JP/US> D10590<US> D10839<US> D11654<US> D11655<US> D12130<US> D12137<US>
Efficacy
Antineoplastic, Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06270  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA01 Ethinylestradiol
      D00554  Ethinyl estradiol (USP) <JP>
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA03 Ethinylestradiol
      D00554  Ethinyl estradiol (USP) <JP>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Ethinyl Estradiol
    D00554  Ethinyl estradiol (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2474  Ethinylestradiols
     D00554  Ethinyl estradiol (USP); Ethinylestradiol (JP19/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Drugs for women
  51 Other drugs for women
   D00554  Ethinyl estradiol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Ethinylestradiol
    D00554  Ethinyl estradiol (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ethinylestradiol
    D00554  Ethinyl estradiol (USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00461  Ethinylestradiol
    D00554  Ethinyl estradiol
  DG01584  Estrogen receptor agonist
   DG00461  Ethinylestradiol
    D00554  Ethinyl estradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00461  Ethinylestradiol
     D00554  Ethinyl estradiol
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00461  Ethinylestradiol
     D00554  Ethinyl estradiol
Drug classes [BR:br08332]
 Endocrine and hormonal agent
  DG01986  Estrogen
   D00554  Ethinyl estradiol
  DG01584  Estrogen receptor agonist
   D00554  Ethinyl estradiol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D00554  Ethinyl estradiol (USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00554  Ethinylestradiol
  D00554  Ethinylestradiol tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00554
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00461  Ethinylestradiol
  DG01584  Estrogen receptor agonist
   DG00461  Ethinylestradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00461  Ethinylestradiol
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00461  Ethinylestradiol
Other DBs
CAS: 57-63-6
PubChem: 7847620
ChEBI: 4903
PDB-CCD: 3WF[PDBj]
LigandBox: D00554
J-GLOBAL: J2.803G
LinkDB
KCF data

ATOM        22
            1   C1y C    20.4641  -16.5790
            2   C1z C    20.4525  -15.2599
            3   C1y C    19.3184  -17.2675
            4   C1x C    22.7610  -16.5558
            5   C1z C    21.5923  -14.5829
            6   C1x C    19.2897  -14.6060
            7   C1a C    20.4069  -13.9233
            8   C1y C    18.1671  -16.6137
            9   C1x C    19.3474  -18.5982
            10  C1x C    22.7435  -15.2310
            11  C3b C    22.6337  -13.9233
            12  C1x C    18.2198  -15.2887
            13  C8y C    17.0216  -17.3022
            14  C1x C    18.2020  -19.2926
            15  C3a C    23.6808  -13.2580
            16  C8y C    17.0390  -18.6328
            17  C8x C    15.8414  -16.6542
            18  C8x C    15.8992  -19.3387
            19  C8x C    14.6901  -17.3484
            20  C8y C    14.7190  -18.6967
            21  O1a O    13.5735  -19.3908
            22  O1a O    21.5923  -12.9182
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14   11  15 3
            15   13  16 2
            16   13  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    5  10 1
            22    8  12 1
            23   14  16 1
            24   19  20 1
            25    5  22 1 #Up

» Japanese version   » Back

KEGG   DRUG: Tamoxifen citrate
Entry
D00966                      Drug                                   
Name
Tamoxifen citrate (JP19/USP);
Nolvadex (TN);
Soltamox (TN)
Product
SOLTAMOX (Mayne Pharma)
  Generic
TAMOXIFEN CITRATE (A-S Medication Solutions), TAMOXIFEN CITRATE (A-S Medication Solutions), TAMOXIFEN CITRATE (Actavis Pharma), TAMOXIFEN CITRATE (Aurobindo Pharma Limited), TAMOXIFEN CITRATE (Bryant Ranch Prepack), TAMOXIFEN CITRATE (Bryant Ranch Prepack), TAMOXIFEN CITRATE (Bryant Ranch Prepack), TAMOXIFEN CITRATE (Dr. Reddy's Labratories), TAMOXIFEN CITRATE (Mayne Pharma Commercial LLC), TAMOXIFEN CITRATE (Mylan Pharmaceuticals), TAMOXIFEN CITRATE (NuCare Pharmaceuticals), TAMOXIFEN CITRATE (NuCare Pharmaceuticals), TAMOXIFEN CITRATE (Proficient Rx LP)
Formula
C26H29NO. C6H8O7
Exact mass
563.2519
Mol weight
563.64
Structure
Simcomp
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
  DG01620  Tamoxifene-type antineoplastic
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L02BA01
Chemical structure group: DG00734
Product (DG00734): D00966<JP/US>
Efficacy
Antineoplastic, Estrogen receptor agonist/antagonist
  Disease
Breast cancer (ER positive) [DS:H00031]
Comment
Active form of prodrug: Endoxifen [CPD:C16547]
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06270  Breast cancer
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Structure map
map07043  Antineoplastics - hormones
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
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
     L02BA01 Tamoxifen
      D00966  Tamoxifen citrate (JP19/USP) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Estrogen Agonists/ Antagonists
    Tamoxifen
     D00966  Tamoxifen citrate (JP19/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00966  Tamoxifen citrate (JP19/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    DG00734  Tamoxifen
     D00966  Tamoxifen citrate
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00734  Tamoxifen
    D00966  Tamoxifen citrate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00734  Tamoxifen
    D00966  Tamoxifen citrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00734  Tamoxifen
     D00966  Tamoxifen citrate
Drug classes [BR:br08332]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   D00966  Tamoxifen citrate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00966  Tamoxifen citrate (JP19/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00966  Tamoxifen citrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00966
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D00966
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    DG00734  Tamoxifen
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00734  Tamoxifen
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00734  Tamoxifen
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00734  Tamoxifen
Prodrugs [br08324.html]
 DG00734
Other DBs
CAS: 54965-24-1
PubChem: 7848029
ChEBI: 9397
LigandBox: D00966
J-GLOBAL: J327.784D
LinkDB
KCF data

ATOM        41
            1   C1d C    44.5200  -20.0900
            2   C1b C    43.3300  -20.7900
            3   C1b C    45.7100  -20.7900
            4   C6a C    45.2200  -18.9000
            5   O1a O    43.8200  -18.9000
            6   C6a C    42.0700  -20.0900
            7   C6a C    45.7100  -22.1900
            8   O6a O    44.5200  -17.6400
            9   O6a O    46.6200  -18.9000
            10  O6a O    40.8800  -20.7900
            11  O6a O    42.0700  -18.6900
            12  O6a O    46.9700  -22.8900
            13  O6a O    44.5200  -22.8900
            14  C8x C    32.8300  -21.0700
            15  C8y C    32.8300  -22.4700
            16  C8x C    31.6400  -23.1700
            17  C8x C    30.3800  -22.4700
            18  C8y C    30.3800  -21.0700
            19  C8x C    31.6400  -20.3700
            20  C8x C    27.9300  -22.4700
            21  C8y C    27.9300  -21.0700
            22  C2c C    29.1900  -20.3700
            23  C8x C    26.7400  -23.1700
            24  C8x C    25.5500  -22.4700
            25  C8x C    25.5500  -21.0700
            26  C8x C    26.7400  -20.3700
            27  C2c C    29.1900  -18.9700
            28  C1b C    27.9300  -18.2700
            29  C8y C    30.3800  -18.2700
            30  O2a O    34.0200  -23.1700
            31  C1b C    35.2100  -22.4700
            32  C1b C    36.4000  -23.1700
            33  C8x C    30.3800  -16.8700
            34  C8x C    31.5700  -16.1700
            35  C8x C    32.8300  -16.8700
            36  C8x C    32.8300  -18.2700
            37  C8x C    31.5700  -18.9700
            38  N1c N    37.5900  -22.4700
            39  C1a C    38.7800  -23.1700
            40  C1a C    37.5900  -21.0700
            41  C1a C    26.7400  -18.9700
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   20  21 1
            20   21  22 1
            21   18  22 1
            22   20  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   21  26 2
            27   22  27 2
            28   27  28 1
            29   27  29 1
            30   15  30 1
            31   30  31 1
            32   31  32 1
            33   29  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   29  37 1
            39   32  38 1
            40   38  39 1
            41   38  40 1
            42   28  41 1

» Japanese version   » Back

KEGG   DRUG: Fulvestrant
Entry
D01161                      Drug                                   
Name
Fulvestrant (JAN/USP/INN);
Faslodex (TN)
Product
CLIGAVYX (Avyxa Pharma), FASLODEX (AstraZeneca Pharmaceuticals LP), FULVESTRANT (Fresenius Kabi USA)
  Generic
FULVESTRANT (Accord Healthcare), FULVESTRANT (Alembic Pharmaceuticals), FULVESTRANT (Amneal Pharmaceuticals LLC), FULVESTRANT (Amneal Pharmaceuticals LLC), FULVESTRANT (Athenex Pharmaceutical Division), FULVESTRANT (Avenacy), FULVESTRANT (BluePoint Laboratories), FULVESTRANT (BluePoint Laboratories), FULVESTRANT (BluePoint Laboratories.), FULVESTRANT (Chia Tai Tianqing Pharmaceutical Group), FULVESTRANT (Dr.Reddy's Laboratories), FULVESTRANT (Eugia US LLC), FULVESTRANT (GLENMARK PHARMACEUTICALS), FULVESTRANT (Hikma Pharmaceuticals USA), FULVESTRANT (Meitheal Pharmaceuticals), FULVESTRANT (Northstar Rx), FULVESTRANT (Sagent Pharmaceuticals), FULVESTRANT (Sagent Pharmaceuticals), FULVESTRANT (Sandoz), FULVESTRANT (Sandoz), FULVESTRANT (Xiromed), FULVESTRANT (Zydus Lifesciences Limited), FULVESTRANT (Zydus Pharmaceuticals USA)
Formula
C32H47F5O3S
Exact mass
606.3166
Mol weight
606.77
Structure
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
  DG01621  Selective estrogen receptor modulator
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L02BA03
Product: D01161<JP/US>
Efficacy
Antineoplastic, Estrogen receptor agonist/antagonist
  Disease
Breast cancer, postmenopausal (HR positive) [DS:H00031]
Breast cancer, postmenopausal (HR positive, HER2 negative) [DS:H00031]
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06270  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07043  Antineoplastics - hormones
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
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
    L02BA Anti-estrogens
     L02BA03 Fulvestrant
      D01161  Fulvestrant (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Estrogen Agonists/ Antagonists
    Fulvestrant
     D01161  Fulvestrant (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D01161  Fulvestrant (JAN/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   D01161  Fulvestrant
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG01621  Selective estrogen receptor modulator
    D01161  Fulvestrant
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D01161  Fulvestrant
Drug classes [BR:br08332]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   D01161  Fulvestrant
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01161  Fulvestrant (JAN/USP/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01161
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01161
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01161
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01161
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01161
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D01161
Other DBs
CAS: 129453-61-8
PubChem: 7848224
ChEBI: 31638
PDB-CCD: FVS[PDBj]
LigandBox: D01161
J-GLOBAL: J401.163E
LinkDB
KCF data

ATOM        41
            1   C8x C     7.4203  -16.5528
            2   C8y C     7.4203  -17.9330
            3   C8x C     8.6185  -18.6231
            4   C8x C     8.6185  -15.8628
            5   C8y C     9.8096  -16.5528
            6   C8y C     9.8037  -17.9330
            7   C1x C    10.9960  -18.6281
            8   C1y C    12.1942  -17.9432
            9   C1y C    11.0077  -15.8679
            10  C1y C    12.1942  -16.5658
            11  C1x C    12.2169  -13.8129
            12  C1x C    11.0191  -14.4913
            13  C1z C    13.4035  -14.5109
            14  C1y C    13.3866  -15.8831
            15  C1x C    15.7638  -15.9121
            16  C1x C    15.7803  -14.5396
            17  C1y C    14.6003  -13.8392
            18  O1a O    14.7331  -12.4541
            19  O1a O     6.2253  -18.6237
            20  C1b C    13.3801  -18.6301
            21  C1b C    14.5721  -17.9469
            22  C1b C    15.7641  -18.6370
            23  C1b C    16.9561  -17.9539
            24  C1b C    18.1480  -18.6440
            25  C1b C    19.3400  -17.9609
            26  C1b C    20.5319  -18.6510
            27  C1b C    21.7239  -17.9678
            28  C1b C    22.9159  -18.6579
            29  S4a S    24.1078  -17.9748
            30  C1b C    25.2998  -18.6649
            31  C1b C    26.4917  -17.9819
            32  C1b C    27.6837  -18.6720
            33  C1d C    28.8756  -17.9887
            34  O3c O    24.1108  -16.5946
            35  X   F    29.9914  -17.2156
            36  X   F    27.8928  -17.0058
            37  C1a C    13.3941  -13.1303
            38  C1d C    29.8649  -18.9778
            39  X   F    30.8541  -19.9671
            40  X   F    31.0764  -18.2784
            41  X   F    28.6534  -19.6773
BOND        44
            1     4   1 1
            2     2  19 1
            3     1   2 2
            4     8  20 1 #Down
            5     9  10 1
            6    20  21 1
            7    10  14 1
            8    21  22 1
            9    13  11 1
            10   22  23 1
            11   11  12 1
            12   23  24 1
            13   12   9 1
            14   24  25 1
            15    2   3 1
            16   25  26 1
            17    3   6 2
            18   26  27 1
            19    5   6 1
            20   27  28 1
            21    6   7 1
            22   28  29 1
            23    7   8 1
            24   29  30 1
            25   13  14 1
            26   30  31 1
            27   15  16 1
            28   31  32 1
            29   16  17 1
            30   32  33 1
            31   17  13 1
            32   29  34 2
            33   14  15 1
            34    8  10 1
            35   17  18 1 #Up
            36    9   5 1
            37   33  35 1
            38    5   4 2
            39   33  36 1
            40   13  37 1 #Up
            41   33  38 1
            42   38  39 1
            43   38  40 1
            44   38  41 1

» Japanese version   » Back

KEGG   DRUG: Imlunestrant tosylate
Entry
D12217                      Drug                                   
Name
Imlunestrant tosylate (USAN);
Imlunestrant tosilate (JAN);
Inluriyo (TN)
Product
INLURIYO (Eli Lilly and Company)
Formula
C29H24F4N2O3. C7H8O3S
Exact mass
696.1917
Mol weight
696.71
Structure
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
  DG03184  UGT1A3 substrate
  DG03186  UGT1A8 substrate
  DG03188  UGT1A9 substrate
  DG03375  UGT1A10 substrate
Remark
Therapeutic category: 4291
Chemical structure group: DG03177
Product (DG03177): D12217<JP/US>
Efficacy
Antineoplastic, Estrogen receptor antagonist
  Disease
Breast cancer (ER positive, HER2 negative, ESR1 mutated) [DS:H00031]
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04081  Hormone signaling
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06210  ERK signaling (cancer)
nt06214  PI3K signaling (cancer)
nt06227  Nuclear receptor signaling (cancer)
nt06270  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT1A1 [HSA:54658], UGT1A3 [HSA:54659], UGT1A8 [HSA:54576], UGT1A9 [HSA:54600], UGT1A10 [HSA:54575]
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12217  Imlunestrant tosylate (USAN); Imlunestrant tosilate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG03177  Imlunestrant
    D12217  Imlunestrant tosylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03184  UGT1A3 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03186  UGT1A8 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03188  UGT1A9 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03375  UGT1A10 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D12217  Imlunestrant tosylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12217
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12217
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12217
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12217
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12217
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12217
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG03177  Imlunestrant
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03177  Imlunestrant
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03177  Imlunestrant
   DG03184  UGT1A3 substrate
    DG03177  Imlunestrant
   DG03186  UGT1A8 substrate
    DG03177  Imlunestrant
   DG03188  UGT1A9 substrate
    DG03177  Imlunestrant
   DG03375  UGT1A10 substrate
    DG03177  Imlunestrant
Other DBs
CAS: 2408840-41-3
PubChem: 497620630
LinkDB
KCF data

ATOM        49
            1   C8y C    17.2290  -14.7777
            2   C8y C    17.2290  -13.3770
            3   N5x N    16.0383  -12.6766
            4   C8x C    14.7777  -13.3770
            5   C8y C    14.7777  -14.7777
            6   C8y C    16.0383  -15.4780
            7   C8x C    18.4196  -15.4780
            8   C8x C    19.6802  -14.7777
            9   C8y C    19.6802  -13.3770
            10  C8x C    18.4196  -12.6766
            11  O1a O    20.8708  -12.6766
            12  C8y C    13.5871  -15.4780
            13  C8y C    13.5871  -16.8788
            14  O2x O    14.7777  -17.5791
            15  C1y C    16.0383  -16.8788
            16  C8x C    12.3964  -14.7777
            17  C8x C    11.1358  -15.4780
            18  C8y C    11.1358  -16.8788
            19  C8x C    12.3964  -17.5791
            20  C1d C     9.9452  -17.5791
            21  X   F     8.6845  -18.2795
            22  X   F    10.6455  -18.7698
            23  X   F     9.2448  -16.3885
            24  C8y C    17.2290  -17.5791
            25  C8x C    17.2290  -18.9799
            26  C8x C    18.4896  -19.6802
            27  C8y C    19.6802  -18.9799
            28  C8x C    19.6802  -17.5791
            29  C8x C    18.4896  -16.8788
            30  O2a O    20.8708  -19.6802
            31  C1b C    22.0615  -18.9799
            32  C1b C    23.2521  -19.6802
            33  N1y N    24.4427  -18.9799
            34  C1x C    25.7734  -19.3300
            35  C1y C    26.1236  -17.9994
            36  C1x C    24.7929  -17.6492
            37  C1b C    27.3842  -17.2990
            38  X   F    28.5749  -17.9994
            39  C8x C    30.5900  -16.2400
            40  C8x C    30.5900  -17.6400
            41  C8y C    31.8024  -18.3400
            42  C8x C    33.0149  -17.6400
            43  C8x C    33.0149  -16.2400
            44  C8y C    31.8024  -15.5400
            45  C1a C    31.8024  -19.7398
            46  S4a S    31.8024  -14.1402
            47  O1d O    30.4024  -14.1402
            48  O1d O    33.2024  -14.1402
            49  O1d O    31.8024  -12.7402
BOND        54
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    9  11 1
            13    5  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17    6  15 1
            18   12  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   13  19 2
            23   18  20 1
            24   20  21 1
            25   20  22 1
            26   20  23 1
            27   15  24 1 #Up
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   27  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   33  36 1
            42   35  37 1
            43   37  38 1
            44   39  40 2
            45   40  41 1
            46   41  42 2
            47   42  43 1
            48   43  44 2
            49   39  44 1
            50   41  45 1
            51   44  46 1
            52   46  47 2
            53   46  48 2
            54   46  49 1

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