| Entry |
|
|---|
| Name |
Tamoxifen (INN);
Tamoxifen (TN);
Tamoplex (TN) |
|---|
| Formula |
C26H29NO
|
|---|
| Exact mass |
371.2249
|
|---|
| Mol weight |
371.5146
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00734): | D00966<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Estrogen receptor agonist/antagonist |
|---|
| Comment |
Active form of prodrug: Endoxifen [CPD: C16547]
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565], CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Other map |
| map00982 | Drug metabolism - cytochrome P450 |
|
|---|
| 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
L02BA01 Tamoxifen
D08559 Tamoxifen (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
DG00734 Tamoxifen
D08559 Tamoxifen
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG00734 Tamoxifen
D08559 Tamoxifen
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00734 Tamoxifen
D08559 Tamoxifen
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00734 Tamoxifen
D08559 Tamoxifen
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D08559 Tamoxifen (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08559
Prodrugs [br08324.html]
D08559
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
DG00734 Tamoxifen
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
DG00734 Tamoxifen
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00734 Tamoxifen
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00734 Tamoxifen
Prodrugs [br08324.html]
DG00734
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C8x C 24.7800 -19.3200
2 C8y C 24.7800 -20.7200
3 C8x C 23.5900 -21.4200
4 C8x C 22.3300 -20.7200
5 C8y C 22.3300 -19.3200
6 C8x C 23.5900 -18.6200
7 C8x C 19.8800 -20.7200
8 C8y C 19.8800 -19.3200
9 C2c C 21.1400 -18.6200
10 C8x C 18.6900 -21.4200
11 C8x C 17.5000 -20.7200
12 C8x C 17.5000 -19.3200
13 C8x C 18.6900 -18.6200
14 C2c C 21.1400 -17.2200
15 C1b C 19.8800 -16.5200
16 C8y C 22.3300 -16.5200
17 O2a O 25.9700 -21.4200
18 C1b C 27.1600 -20.7200
19 C1b C 28.3500 -21.4200
20 C8x C 22.3300 -15.1200
21 C8x C 23.5200 -14.4200
22 C8x C 24.7800 -15.1200
23 C8x C 24.7800 -16.5200
24 C8x C 23.5200 -17.2200
25 N1c N 29.5400 -20.7200
26 C1a C 30.8000 -21.4200
27 C1a C 29.5400 -19.3200
28 C1a C 18.6900 -17.2200
BOND 30
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 2 17 1
19 17 18 1
20 18 19 1
21 16 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 16 24 1
27 19 25 1
28 25 26 1
29 25 27 1
30 15 28 1
|
|---|
