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Compound Detail

CHEMBL4552866

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NC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4552866
Phase Preclinical
Structure Type MOL
InChI Key VYBSQCAXXNKUFN-JGWLITMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
-1.12
ALogP
6
HBA
3
HBD
88.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N2O3S
MW 204.25
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
31487175 10.1021/acs.jmedchem.9b01090 Beta-hexosaminidase subunit beta 1
31487175 10.1021/acs.jmedchem.9b01090 Protein O-GlcNAcase 1

Data from ChEMBL 36 via Core Engine