| Entry |
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| Name |
Tamoxifen (INN);
Tamoxifen (TN);
Tamoplex (TN)
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| Formula |
C26H29NO
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| Exact mass |
371.2249
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| Mol weight |
371.5146
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| Structure |
     |
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| Activity |
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| Remark |
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| Comment |
Selective estrogen receptor modulator (SERM)
Prodrug (active metabolite: Endoxifen [CPD: C16547])
Indication: Metastatic breast cancer
Use Tamoxifen to Patients who have factor V leiden mutation or prothrombin mutation is at risk of increase deep venous thrombosis (DVT).
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| Target |
estrogen receptor 1 antagonist/antagonist [HSA: 2099] [KO: K08550]; estrogen receptor 2 antagonist/antagonist [HSA: 2100] [KO: K08551] |
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| Metabolism |
Enzyme: CYP2D6 [HSA: 1565], CYP3A4 [HSA: 1576], CYP1A2 [HSA: 1544], CYP2C9 [HSA: 1559]
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| Interaction |
Genomic biomarker: Estrogen receptor [HSA: 2099 2100] positive, factor V [HSA: 2153] Leiden mutation negative, Prothrombin [HSA: 2147] mutation negative
Transporter inhibition: ABCC2 [HSA: 1244]
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| Pathway map |
| Drug metabolism - cytochrome P450 |
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| Structure map |
| Antineoplastics - hormones | | Progesterone, androgen and estrogen receptor agonists/antagonists |
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| 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)
USP drug classification [BR:br08302]
Antineoplastics
Antiestrogens / Modifiers
Estrogen Agonist / Antagonist
Tamoxifen
D08559 Tamoxifen (INN)
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
estrogen receptor 1 [HSA:2099] [KO:K08550]
Tamoxifen [ATC:L02BA01]
D08559 Tamoxifen (INN)
estrogen receptor 2 [HSA:2100] [KO:K08551]
Tamoxifen [ATC:L02BA01]
D08559 Tamoxifen (INN)
Antineoplastics [BR:br08308]
Hormones and hormone antagonist
Estrogen antagonist
Tamoxifen [ATC:L02BA01]
D08559 Tamoxifen (INN)
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| Other DBs |
CAS: 10540-29-1 PubChem: DrugBank: PDB-CCD: LigandBox: NIKKAJI: |
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| 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
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