EBI-2511   Click here for help

GtoPdb Ligand ID: 9881

Synonyms: compound 34 [PMID: 29456795] | EBI2511
Compound class: Synthetic organic
Comment: EBI-2511 is a potent and orally active EZH2 inhibitor that was designed for clinical anti-neoplastic potential [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 90.81
Molecular weight 576.37
XLogP 6.01
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1
Isomeric SMILES CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1
InChI InChI=1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)
InChI Key NYWVSLBALKNFJR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[1-(propan-2-yl)piperidin-4-yl]-1-benzofuran-4-carboxamide
Synonyms Click here for help
compound 34 [PMID: 29456795] | EBI2511
Database Links Click here for help
GtoPdb PubChem SID 363894175
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