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

CHEMBL3397476

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
COC(=O)CC1Oc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C

Basic Information

ChEMBL ID CHEMBL3397476
Phase Preclinical
Structure Type MOL
InChI Key LKEPJYDAGWEIRC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.82
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO5
MW 351.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.38

Activity Summary

IC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oligo-1,6-glucosidase IMA1
CHEMBL5848
IC50 4.46 4.46 34800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25759031 10.1016/j.bmcl.2015.02.031 Oligo-1,6-glucosidase IMA1 1

Data from ChEMBL 36 via Core Engine