Responsive image

Common name


Tamoxifen

IUPAC name


(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine

SMILES


CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

Compound class


Antineoplastic Agents, Hormonal; Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


Tamoxifen is indicated for the treatment of metastatic breast cancer in women and men and ductal carcinoma in Situ.

Common name


Tamoxifen

IUPAC name


(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine

SMILES


CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

INCHI


InChI=1S/C26H29NO/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/h5-18H,4,19-20H2,1-3H3/b26-25-

FORMULA


C26H29NO

Responsive image

Common name


Tamoxifen

IUPAC name


(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine

Molecular weight


371.515

clogP


5.990

clogS


-6.800

HBond Acceptor


2

HBond Donor


0

Total Polar
Surface Area


12.47

Number of Rings


3

Rotatable Bond


8

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00041 ethanol Responsive image CCO 0.1474
FDBF00064 N,N-dimethylmethanamine Responsive image N(C)(C)C 0.0371
FDBF00074 but-1-ene Responsive image C(C)C=C 0.0100
FDBF00289 N,N-dimethylethanamine Responsive image C(C)N(C)C 0.0299
FDBF00292 2-(dimethylamino)ethanol Responsive image CN(CCO)C 0.0045
FDBF00538 4-vinylphenol Responsive image c1(ccc(cc1)O)C=C 0.0017
FDBF01222 1-methoxy-4-vinyl-benzene Responsive image COc1ccc(cc1)C=C 0.0014
FDBF01223 1-ethoxy-4-vinyl-benzene Responsive image C(C)Oc1ccc(cc1)C=C 0.0010
FDBF01559 4-[(E)-but-1-enyl]phenol Responsive image C(C)C=Cc1ccc(cc1)O 0.0003
15 , 2