EPZ020411   

GtoPdb Ligand ID: 9243

Compound class: Synthetic organic
Comment: EPZ020411 is a research tool compound which is a potent, and selective inhibitor of protein arginine methyltransferase 6 (PRMT6) [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 71.64
Molecular weight 442.29
XLogP 3.28
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C
Isomeric SMILES CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C
InChI InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)
InChI Key QMDKVNSQXPVCRD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
Database Links
GtoPdb PubChem SID 315661318
PubChem CID 91668547
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