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Compound Detail

CHEMBL3647383

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

Basic Information

ChEMBL ID CHEMBL3647383
Phase Preclinical
Structure Type MOL
InChI Key AKIVGYVMNXPVTE-VMQOHUEUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
-1.15
ALogP
7
HBA
3
HBD
85.5
PSA (Ų)
0.55
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 C10H18N2O4S
MW 262.33
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.64

Activity Summary

Ki 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 8.44 8.44 3.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 3.63 nM 8.44 Inhibition Assay: Enzymatic reactions are carried out in a reaction containing 5... -

Data from ChEMBL 36 via Core Engine