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

CHEMBL3287733

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
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287733
Phase Preclinical
Structure Type MOL
InChI Key RTKDBIDPGKCZJS-KPZWWZAWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
2.15
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O5
MW 312.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 2.42

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
EZH2/SUZ12/EED complex
CHEMBL3137286
 IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
EZH2/SUZ12/EED complex IC50 = 520.0 nM 6.28 Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein ... 24767850

Literature References

PubMed DOI Target Context # Activities
24767850 10.1016/j.bmcl.2014.04.010 EZH2/SUZ12/EED complex 2

Data from ChEMBL 36 via Core Engine