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Compound Detail

CHEMBL4106827

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CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)C[C@@H]2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4106827
Phase Preclinical
Structure Type MOL
InChI Key PURJRQUOTKSCNB-QMGXLNLGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
-1.55
ALogP
6
HBA
4
HBD
94.3
PSA (Ų)
0.46
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 C10H18N2O4
MW 230.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.30

Activity Summary

Ki 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.6 nM 9.22 Enzyme Assay: Enzymatic reactions are carried out in a reaction containing 50 mM... -

Data from ChEMBL 36 via Core Engine