| Entry |
|
|---|
| Name |
Estradiol enanthate (USAN) |
|---|
| Formula |
C25H36O3
|
|---|
| Exact mass |
384.2664
|
|---|
| Mol weight |
384.55
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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> |
|
|---|
| Efficacy |
Menstruation disorder agent, Estrogen receptor agonist |
|---|
| Comment |
Estrogen
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| 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
G03CA03 Estradiol
D04064 Estradiol enanthate (USAN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D04064 Estradiol enanthate
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D04064 Estradiol enanthate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D04064 Estradiol enanthate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D04064 Estradiol enanthate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D04064
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
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 15.3591 -19.1390
2 C8y C 15.3591 -20.4708
3 C8x C 16.5507 -21.1718
4 C8y C 17.7425 -20.4708
5 C8y C 17.7425 -19.1390
6 C8x C 16.5507 -18.4380
7 C1x C 18.9340 -21.1718
8 C1x C 20.1257 -20.4708
9 C1y C 20.1257 -19.1390
10 C1y C 18.9340 -18.4380
11 C1y C 21.3173 -18.4380
12 C1z C 21.3173 -17.1062
13 C1x C 20.1257 -16.4053
14 C1x C 18.9340 -17.1062
15 C1x C 23.6305 -18.4380
16 C1x C 23.6305 -17.1062
17 C1y C 22.4388 -16.4053
18 O7a O 22.4388 -15.0734
19 C1a C 21.3173 -15.7043
20 O1a O 14.1675 -21.1718
21 C7a C 23.6305 -14.3725
22 C1b C 24.8221 -15.0734
23 O6a O 23.6305 -12.9705
24 C1b C 26.0138 -14.3725
25 C1b C 27.2054 -15.0734
26 C1b C 28.4522 -14.3672
27 C1b C 29.6274 -15.0587
28 C1a C 30.8360 -14.3740
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1 #Up
22 12 19 1 #Up
23 2 20 1
24 18 21 1
25 21 22 1
26 21 23 2
27 22 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
|
|---|
