tazemetostat   

GtoPdb Ligand ID: 7011

Synonyms: E-7438 | EPZ 6438 | EPZ-6438 | EPZ6438 | Tazverik®
tazemetostat is an approved drug (FDA (2020))
Compound class: Synthetic organic
Comment: Tazemetostat is an oral, potent, first-in-class inhibitor of the histone methyltransferase, enhancer of zeste 2 polycomb repressive complex 2 subunit (EZH2) that was developed by Epizyme as anovel drug for the treatment of solid tumours and lymphomas with speciific genetic alterations. Link to Epizyme's tazemetostat webpage here.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 86.9
Molecular weight 572.34
XLogP 5.61
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1
Isomeric SMILES CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1
InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
InChI Key NSQSAUGJQHDYNO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2020))
IUPAC Name
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
International Nonproprietary Names
INN number INN
9963 tazemetostat
Synonyms
E-7438 | EPZ 6438 | EPZ-6438 | EPZ6438 | Tazverik®
Database Links
CAS Registry No. 1403254-99-8
DrugCentral Ligand 5380
GtoPdb PubChem SID 178103590
PubChem CID 66558664
Search Google for chemical match using the InChIKey NSQSAUGJQHDYNO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NSQSAUGJQHDYNO
Search PubMed clinical trials tazemetostat
Search PubMed titles tazemetostat
Search PubMed titles/abstracts tazemetostat
Search UniChem for chemical match using the InChIKey NSQSAUGJQHDYNO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NSQSAUGJQHDYNO