| Entry |
|
|---|
| Name |
Estradiol 17 beta-hemisuccinate;
17beta-Estradiol hemisuccinate;
Eutocol (TN) |
|---|
| Formula |
C22H28O5
|
|---|
| Exact mass |
372.1937
|
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| Mol weight |
372.45
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Hormonal agent
DG01986 Estrogen
DG01584 Estrogen receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00462): | D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US> |
|
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| Efficacy |
Menstruation disorder agent, Estrogen receptor agonist |
|---|
| Comment |
Estrogen
|
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
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| 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
G03CA03 Estradiol
D07919 Estradiol 17 beta-hemisuccinate
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D07919 Estradiol 17 beta-hemisuccinate
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D07919 Estradiol 17 beta-hemisuccinate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D07919 Estradiol 17 beta-hemisuccinate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D07919 Estradiol 17 beta-hemisuccinate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07919
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
DG01584 Estrogen receptor agonist
DG00462 Estradiol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 27
1 C1y C 26.3072 -19.7795
2 C1y C 25.1146 -20.4109
3 C1z C 26.3072 -18.3765
4 C1x C 28.6222 -19.7795
5 C1y C 23.9220 -19.7094
6 C1x C 25.1146 -21.8139
7 C1x C 25.1146 -17.6750
8 C1y C 27.4997 -17.7451
9 C1a C 26.3072 -17.0436
10 C1x C 28.6223 -18.4467
11 C8y C 22.7295 -20.4109
12 C1x C 23.9220 -18.3765
13 C1x C 23.9220 -22.4453
14 O7a O 27.4997 -16.3421
15 C8y C 22.7295 -21.8139
16 C8x C 21.5369 -19.7094
17 C8x C 21.5369 -22.4453
18 C8x C 20.4145 -20.4109
19 C8y C 20.4144 -21.8139
20 O1a O 19.1518 -22.4453
21 C7a C 28.7148 -15.6406
22 C1b C 29.9128 -16.3325
23 C1b C 31.1028 -15.6455
24 C6a C 32.2966 -16.3350
25 O6a O 33.4886 -15.6468
26 O6a O 32.2966 -17.7448
27 O6a O 28.7149 -14.2378
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 14 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 24 26 2
30 21 27 2
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