| Entry |
|
|---|
| Name |
Estradiol undecylate (USAN/INN);
Delestrec (TN) |
|---|
| Formula |
C29H44O3
|
|---|
| Exact mass |
440.3290
|
|---|
| Mol weight |
440.66
|
|---|
| 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
D04065 Estradiol undecylate (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D04065 Estradiol undecylate
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D04065 Estradiol undecylate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D04065 Estradiol undecylate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D04065 Estradiol undecylate (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D04065
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 32
1 C8x C 14.6635 -19.0745
2 C8y C 14.6635 -20.4066
3 C8x C 15.8554 -21.1078
4 C8y C 17.0476 -20.4066
5 C8y C 17.0476 -19.0745
6 C8x C 15.8554 -18.3733
7 C1x C 18.2394 -21.1078
8 C1x C 19.4314 -20.4066
9 C1y C 19.4314 -19.0745
10 C1y C 18.2394 -18.3733
11 C1y C 20.6234 -18.3733
12 C1z C 20.6234 -17.0411
13 C1x C 19.4314 -16.3400
14 C1x C 18.2394 -17.0411
15 C1x C 22.9373 -18.3733
16 C1x C 22.9373 -17.0411
17 C1y C 21.7452 -16.3400
18 O7a O 21.7452 -15.0077
19 C1a C 20.6234 -15.6388
20 O1a O 13.4715 -21.1078
21 C7a C 22.9373 -14.3066
22 C1b C 24.1292 -15.0077
23 O6a O 22.9373 -12.9042
24 C1b C 25.3212 -14.3066
25 C1b C 26.5132 -15.0077
26 C1b C 27.7603 -14.3013
27 C1b C 28.9359 -14.9930
28 C1b C 30.1448 -14.3081
29 C1b C 31.3574 -15.0217
30 C1b C 32.5653 -14.3378
31 C1b C 33.7656 -15.0445
32 C1a C 34.9621 -14.3670
BOND 35
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
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
|
|---|
