camizestrant   Click here for help

GtoPdb Ligand ID: 12716

Synonyms: AZ-14066724 | AZ14066724 | AZD-9833 | AZD9833 | compound 28 PMID: 32910656]
Compound class: Synthetic organic
Comment: Camizestrant (AZD9833) is an orally available selective estrogen receptor degrader (SERD) [1] that was developed for antineoplastic potential in ER+ve breast cancers.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 55.26
Molecular weight 476.51
XLogP 2.68
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES C[C@@H]1CC2=C(C=CC3=C2C=NN3)[C@@H](C4=CC=C(C=N4)NC5CN(CCCF)C5)N1CC(F)(F)F
Isomeric SMILES FCCCN1CC(C1)NC=2C=CC(=NC2)[C@@H]3C4=CC=C5NN=CC5=C4C[C@H](N3CC(F)(F)F)C
InChI InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1
1. Scott JS, Moss TA, Balazs A, Barlaam B, Breed J, Carbajo RJ, Chiarparin E, Davey PRJ, Delpuech O, Fawell S et al.. (2020)
Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J Med Chem, 63 (23): 14530-14559. [PMID:32910656]