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Compound Detail

CHEMBL404356

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CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@]2(C)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404356
Phase Preclinical
Structure Type MOL
InChI Key XBDKLSWDZRHGCB-SYHAXYEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
-0.65
ALogP
6
HBA
3
HBD
82.3
PSA (Ų)
0.56
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 C9H15NO4S
MW 233.29
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.36

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