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

CHEMBL4109135

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
OC[C@H]1C[C@@H]2OC(N3CCC3)=N[C@@H]2[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4109135
Phase Preclinical
Structure Type MOL
InChI Key KFDDAZGHTBNRCQ-SOYHJAILSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
-1.45
ALogP
6
HBA
3
HBD
85.5
PSA (Ų)
0.52
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 C11H18N2O4
MW 242.28
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.97

Activity Summary

Ki 1 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 9.89 9.89 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.13 nM 9.89 Enzyme Assay: Enzymatic reactions are carried out in a reaction containing 50 mM... -

Data from ChEMBL 36 via Core Engine