| Entry |
|
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| Name |
Ethinylestradiol propanesulfonate;
Turisteron (TN) |
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| Formula |
C23H30O4S
|
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| Exact mass |
402.1865
|
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| Mol weight |
402.5469
|
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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
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
|
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| Remark |
| Product (DG00461): | D00554<JP> |
|
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| Efficacy |
Antineoplastic, Menstruation disorder agent, Estrogen receptor agonist |
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| 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 |
CYP inhibition: CYP3A4 [HSA: 1576]
|
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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
G03CA01 Ethinylestradiol
D07928 Ethinylestradiol propanesulfonate
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AA Estrogens
L02AA03 Ethinylestradiol
D07928 Ethinylestradiol propanesulfonate
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00461 Ethinylestradiol
D07928 Ethinylestradiol propanesulfonate
DG01584 Estrogen receptor agonist
DG00461 Ethinylestradiol
D07928 Ethinylestradiol propanesulfonate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00461 Ethinylestradiol
D07928 Ethinylestradiol propanesulfonate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00461 Ethinylestradiol
D07928 Ethinylestradiol propanesulfonate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D07928 Ethinylestradiol propanesulfonate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07928
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00461 Ethinylestradiol
DG01584 Estrogen receptor agonist
DG00461 Ethinylestradiol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00461 Ethinylestradiol
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00461 Ethinylestradiol
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 28
1 C1y C 22.3617 -16.2828
2 C1z C 22.3617 -14.9548
3 C1y C 21.2435 -16.9818
4 C1x C 24.6684 -16.2828
5 C1z C 23.4801 -14.3257
6 C1x C 21.1735 -14.3257
7 C1a C 22.3618 -13.6268
8 C1y C 20.0552 -16.3527
9 C1x C 21.2434 -18.3098
10 C1x C 24.6685 -14.9548
11 C3b C 24.5286 -13.6268
12 C1x C 20.0552 -15.0247
13 C8y C 18.9368 -17.0517
14 C1x C 20.0552 -19.0088
15 C3a C 25.5770 -12.9976
16 C8y C 18.9368 -18.3797
17 C8x C 17.7486 -16.3527
18 C8x C 17.8185 -19.0787
19 C8x C 16.6304 -17.0517
20 C8y C 16.6302 -18.4496
21 O2a O 15.4420 -19.1485
22 O1a O 23.4801 -12.6482
23 S4a S 14.2258 -18.4595
24 C1c C 13.0151 -17.7605
25 O3c O 13.5432 -19.6534
26 O3c O 14.9306 -17.2264
27 C1a C 11.7943 -18.4655
28 C1a C 13.0151 -16.3528
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1 #Down
11 6 12 1
12 8 13 1
13 9 14 1
14 11 15 3
15 13 16 2
16 13 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 5 10 1
22 8 12 1
23 14 16 1
24 19 20 1
25 5 22 1 #Up
26 21 23 1
27 23 24 1
28 23 25 2
29 23 26 2
30 24 27 1
31 24 28 1
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