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Compound Detail

CHEMBL255693

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

Basic Information

ChEMBL ID CHEMBL255693
Phase Preclinical
Structure Type MOL
InChI Key TWFOKPIOHHZVPP-ZZPVQSCKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
-0.15
ALogP
8
HBA
4
HBD
120.6
PSA (Ų)
0.56
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 C14H24N2O6S
MW 348.42
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.47

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