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Compound Detail

CHEMBL3681910

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CON(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3681910
Phase Preclinical
Structure Type MOL
InChI Key QHGGQSRRRSUEST-FMDGEEDCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
-1.61
ALogP
8
HBA
3
HBD
94.8
PSA (Ų)
0.52
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 C9H16N2O5S
MW 264.30
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.64

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 11.0 nM 7.96 Inhibition Assay: Enzymatic reactions were carried out in a reaction containing ... -

Data from ChEMBL 36 via Core Engine