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

CHEMBL491631

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
COc1cc(CN2CCC(=O)CC2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491631
Phase Preclinical
Structure Type MOL
InChI Key ZXTKSQIBINWPQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
1.87
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19NO3
MW 249.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
18713666 10.1016/j.bmc.2008.07.086 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine