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Compound Detail

CHEMBL3647373

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CCC[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 CHEMBL3647373
Phase Preclinical
Structure Type MOL
InChI Key SOGNQWQXBUBJQJ-OVHRRVLLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
-0.37
ALogP
7
HBA
3
HBD
85.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H22N2O4S
MW 290.39
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.87

Activity Summary

Ki 1 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 8.03 8.03 9.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 9.36 nM 8.03 Inhibition Assay: Enzymatic reactions are carried out in a reaction containing 5... -

Data from ChEMBL 36 via Core Engine