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Compound Detail

CHEMBL3647362

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CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H]([C@H](C)O)O[C@@H]2S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3647362
Phase Preclinical
Structure Type MOL
InChI Key PXXLUTCTWXQQRW-LHCONQACSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
-1.11
ALogP
7
HBA
4
HBD
94.3
PSA (Ų)
0.50
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 C10H18N2O4S
MW 262.33
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.63

Activity Summary

Ki 1 meas. best 9.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 9.92 9.92 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.12 nM 9.92 Inhibition Assay: Enzymatic reactions are carried out in a reaction containing 5... -

Data from ChEMBL 36 via Core Engine