| Entry |
|
|---|
| Name |
Toremifene (INN);
Fareston (TN) |
|---|
| Formula |
C26H28ClNO
|
|---|
| Exact mass |
405.1859
|
|---|
| Mol weight |
405.9596
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00735): | D00967<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Estrogen receptor antagonist |
|---|
| 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]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02B HORMONE ANTAGONISTS AND RELATED AGENTS
L02BA Anti-estrogens
L02BA02 Toremifene
D08620 Toremifene (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
DG00735 Toremifene
D08620 Toremifene
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG00735 Toremifene
D08620 Toremifene
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00735 Toremifene
D08620 Toremifene
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D08620 Toremifene (INN)
Protein kinases
Receptor tyrosine kinases (RTK)
INSR family
IGF1R (CD221)
D08620 Toremifene (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08620
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
DG00735 Toremifene
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG00735 Toremifene
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00735 Toremifene
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8x C 17.5000 -19.3200
2 C8x C 17.5000 -20.7200
3 C8x C 18.6900 -21.4200
4 C8x C 19.9500 -20.7200
5 C8y C 19.9500 -19.3200
6 C8x C 18.6900 -18.6200
7 C8x C 22.4000 -20.7200
8 C8y C 22.4000 -19.3200
9 C2c C 21.1400 -18.6200
10 C8x C 23.5900 -21.4200
11 C8y C 24.7800 -20.7200
12 C8x C 24.7800 -19.3200
13 C8x C 23.5900 -18.6200
14 C2c C 21.1400 -17.2200
15 C8y C 22.4000 -16.5200
16 C1b C 19.9500 -16.5200
17 C1b C 18.7600 -17.2200
18 X Cl 17.5700 -16.5200
19 C8x C 23.5900 -17.2200
20 C8x C 24.7800 -16.5200
21 C8x C 24.7800 -15.1200
22 C8x C 23.5900 -14.4200
23 C8x C 22.4000 -15.1200
24 O2a O 26.0400 -21.4200
25 C1b C 27.2300 -20.7200
26 C1b C 28.4200 -21.4200
27 N1c N 29.6100 -20.7200
28 C1a C 30.8000 -21.4200
29 C1a C 29.6100 -19.3200
BOND 31
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 2
16 14 15 1
17 14 16 1
18 16 17 1
19 17 18 1
20 15 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 15 23 1
26 11 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 1
|
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