| Entry |
|
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| Name |
Elacestrant (USAN/INN) |
|---|
| Formula |
C30H38N2O2
|
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| Exact mass |
458.2933
|
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| Mol weight |
458.6349
|
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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 |
|---|
| Comment |
Treatment of estrogen receptor-positive breast cancer
|
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| Target |
|
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| Pathway |
|
|---|
| 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
D11671 Elacestrant (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG03078 Elacestrant
D11671 Elacestrant
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG03078 Elacestrant
D11671 Elacestrant
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
DG03078 Elacestrant
D11671 Elacestrant
DG01642 CYP2C9 substrate
DG03078 Elacestrant
D11671 Elacestrant
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03078 Elacestrant
D11671 Elacestrant
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D11671 Elacestrant (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11671
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 34
1 C8x C 7.9800 -13.5100
2 C8y C 7.9800 -14.9100
3 C8x C 9.1924 -15.6100
4 C8y C 10.4049 -14.9100
5 C8y C 10.4049 -13.5100
6 C8x C 9.1924 -12.8100
7 C1x C 11.6173 -15.6100
8 C1x C 12.8297 -14.9100
9 C1y C 12.8297 -13.5100
10 C1x C 11.6173 -12.8100
11 C8y C 14.0273 -12.8185
12 O1a O 6.7676 -15.6100
13 C8y C 15.2156 -13.5045
14 C8x C 16.4280 -12.8045
15 C8y C 16.4280 -11.4045
16 C8x C 15.2397 -10.7185
17 C8x C 14.0273 -11.4185
18 O2a O 17.6544 -10.6963
19 C1a C 18.8619 -11.3933
20 N1c N 15.2157 -14.9098
21 C1b C 16.4088 -15.5988
22 C1b C 13.9840 -15.6211
23 C1a C 14.0344 -17.0095
24 C8y C 17.5948 -14.9141
25 C8x C 18.7868 -15.6025
26 C8x C 19.9993 -14.9026
27 C8y C 19.9994 -13.5026
28 C8x C 18.8075 -12.8142
29 C8x C 17.5949 -13.5141
30 C1b C 21.2240 -12.7956
31 C1b C 22.4320 -13.4931
32 N1b N 23.6131 -12.8112
33 C1b C 24.8076 -13.5010
34 C1a C 25.9955 -12.8153
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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