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

CHEMBL480450

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
C=C(C)[C@@H]1CCc2cnc3cc(C)oc(=O)c3c2C1

Basic Information

ChEMBL ID CHEMBL480450
Phase Preclinical
Structure Type MOL
InChI Key FYHXOOBGLYFJIC-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
3.18
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.98

Activity Summary

EC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 5.6 5.6 2490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 2490.0 nM 5.6 Cell protective activity in human MC65 cells assessed as protection against amyl... 19121940

Literature References

PubMed DOI Target Context # Activities
19121940 10.1016/j.bmcl.2008.12.060 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine