Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4591568

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(-c2ccccc2)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4591568
Phase Preclinical
Structure Type MOL
InChI Key HVKBKUITECMSPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

603.8
MW (Da)
5.80
ALogP
7
HBA
2
HBD
99.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H41N7O2
MW 603.77
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
27468126 10.1021/acs.jmedchem.6b00855 Histone-lysine N-methyltransferase EZH2 1
27468126 10.1021/acs.jmedchem.6b00855 Histone-lysine N-methyltransferase EZH1 1

Data from ChEMBL 36 via Core Engine