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

CHEMBL4214643

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
COc1ccccc1C(=O)Nc1ccc2c(c1)CNC(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214643
Phase Preclinical
Structure Type MOL
InChI Key LAFJKVROFSQGPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.12
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3
MW 296.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
28728106 10.1016/j.ejmech.2017.07.006 Acetylcholinesterase 1
28728106 10.1016/j.ejmech.2017.07.006 Beta-secretase 1 1

Data from ChEMBL 36 via Core Engine