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Compound Detail

CHEMBL3952267

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

Basic Information

ChEMBL ID CHEMBL3952267
Phase Preclinical
Structure Type MOL
InChI Key BJJIUHHMYPWQRV-BWTWBLBVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
-0.49
ALogP
6
HBA
3
HBD
76.3
PSA (Ų)
0.59
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 C11H20N2O3S
MW 260.36
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.44

Activity Summary

Ki 1 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 9.85 9.85 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.14 nM 9.85 Enzyme Assay: Enzymatic reactions are carried out in a reaction containing 50 mM... -

Data from ChEMBL 36 via Core Engine