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

CHEMBL2385922

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
COc1ccc(CNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385922
Phase Preclinical
Structure Type MOL
InChI Key OBBBIYKSFPPMRZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.23
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O3
MW 360.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.85

Activity Summary

Ki 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-N-acetyl-D-hexosaminidase-A/B
CHEMBL3038485
 Ki 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-N-acetyl-D-hexosaminidase-A/B Ki = 630.0 nM 6.2 Inhibition of human beta-N-acetyl-D-hexosaminidase-A/B using 4-Methylumbellifery... 24900704

Literature References

PubMed DOI Target Context # Activities
24900704 10.1021/ml300475m Beta-N-acetyl-D-hexosaminidase-A/B 2

Data from ChEMBL 36 via Core Engine