Responsive image

Common name


Letrozole

IUPAC name


4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile

SMILES


N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N

Compound class


Antineoplastic Agents; Aromatase Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors;

Therapeutic area


For the extended adjuvant treatment of early breast cancer in postmenopausal women who have received 5 years of adjuvant tamoxifen therapy. Also for first-line treatment of postmenopausal women with hormone receptor positive or hormone receptor unknown locally advanced or metastatic breast cancer. Also indicated for the treatment of advanced breast cancer in postmenopausal women with disease progression following antiestrogen therapy.

Common name


Letrozole

IUPAC name


4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile

SMILES


N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N

INCHI


InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H

FORMULA


C17H11N5

Responsive image

Common name


Letrozole

IUPAC name


4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile

Molecular weight


285.303

clogP


2.532

clogS


-3.774

HBond Acceptor


4

HBond Donor


0

Total Polar
Surface Area


78.29

Number of Rings


3

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00261 1-methyl-1,2,4-triazole Responsive image n1(ncnc1)C 0.0038
FDBF00270 1H-1,2,4-triazole Responsive image [nH]1ncnc1 0.0045
FDBF02252 4-methylbenzonitrile Responsive image Cc1ccc(cc1)C#N 0.0007
FDBF02253 4-(1,2,4-triazol-1-ylmethyl)benzonitrile Responsive image C(n1ncnc1)c2ccc(cc2)C#N 0.0003
FDBF02254 benzonitrile Responsive image c1ccc(cc1)C#N 0.0041
5 , 1