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Compound Detail

CHEMBL404651

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Cc1nc2c(s1)O[C@H](CO)[C@H](O)[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404651
Phase Preclinical
Structure Type MOL
InChI Key LAYGJMIHKAUFND-PRMYIZFSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
-0.40
ALogP
6
HBA
3
HBD
82.8
PSA (Ų)
0.60
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 C8H11NO4S
MW 217.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.67

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18406613 10.1016/j.bmcl.2008.03.067 B-N-acetylhexosaminidase 1

Data from ChEMBL 36 via Core Engine