| Entry |
|
|---|
| Name |
Elacestrant hydrochloride (USAN);
Elacestrant dihydrochloride;
Orserdu (TN) |
|---|
| Product |
|
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| Formula |
C30H38N2O2. 2HCl
|
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| Exact mass |
530.2467
|
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| Mol weight |
531.55
|
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| Structure |
|
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| 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
|
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| Remark |
| Product (DG03078): | D11672<US> |
|
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| Efficacy |
Antineoplastic, Estrogen receptor antagonist |
|---|
| Disease |
Breast cancer (ER-positive, HER2 negative, ESR1-mutated) [DS: H00031] |
|---|
| Comment |
Treatment of estrogen receptor-positive breast cancer
|
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2A6 [HSA: 1548], CYP2C9 [HSA: 1559]
|
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| Interaction |
|
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| 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
|
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| Other DBs |
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| LinkDB |
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| 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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