TAMOXIFEN CITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 7FRV7310N6
Parent Compound: TAMOXIFEN

Structure
InChI Key FQZYTYWMLGAPFJ-OQKDUQJOSA-N
Smile CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H37NO8
Molecular Weight 563.65
AlogP 6.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor alpha modulator PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- 1700 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- 5 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 109

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 4 D001943 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Infertility 3 D007246 ClinicalTrials
Breast Neoplasms, Male 3 D018567 ClinicalTrials
Peritoneal Neoplasms 3 D010534 ClinicalTrials
Fallopian Tube Neoplasms 3 D005185 ClinicalTrials
Liver Neoplasms 3 D008113 ClinicalTrials
Carcinoma in Situ 3 D002278 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Endometrial Neoplasms 3 D016889 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Neoplasm Metastasis 3 D009362 ClinicalTrials
Inflammatory Breast Neoplasms 3 D058922 ClinicalTrials
Endometrial Neoplasms 3 D016889 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Bipolar Disorder 3 D001714 ClinicalTrials
Fallopian Tube Neoplasms 3 D005185 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Myocardial Ischemia 3 D017202 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 3 D002285 ClinicalTrials
Central Nervous System Neoplasms 2 D016543 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Hereditary Breast and Ovarian Cancer Syndrome 2 D061325 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Telangiectasia, Hereditary Hemorrhagic 2 D013683 ClinicalTrials
Adenoma 2 D000236 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Gynecomastia 2 D006177 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Fibromatosis, Aggressive 2 D018222 ClinicalTrials
Retroperitoneal Fibrosis 2 D012185 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Osteosarcoma 1 D012516 ClinicalTrials
Hepatitis C, Chronic 1 D019698 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
10.58
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
10.15
Nervous system disorders
9.01
Reproductive system and breast disorders
7.98
Musculoskeletal and connective tissue disorders
7.73
Vascular disorders
7.31
Gastrointestinal disorders
6.09
Skin and subcutaneous tissue disorders
5.68
Psychiatric disorders
5.06
Investigations
4.26
Respiratory, thoracic and mediastinal disorders
3.83
Eye disorders
2.99
Cardiac disorders
2.91
Hepatobiliary disorders
2.85
Injury, poisoning and procedural complications
2.82

Cross References

Resources Reference
ChEBI 9397
ChEMBL CHEMBL786
EPA CompTox DTXSID8021301
FDA SRS 7FRV7310N6
Guide to Pharmacology 1016
KEGG C07108
PDB CTX
PubChem 2733525
SureChEMBL SCHEMBL6365
ZINC ZINC01530689
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