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Compound Detail

CHEMBL4546366

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CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](C(F)F)O[C@@H]2S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4546366
Phase Preclinical
Structure Type MOL
InChI Key PGGPTJXWYICMCH-FZGKIIIMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
0.76
ALogP
5
HBA
1
HBD
45.1
PSA (Ų)
0.75
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 C9H14F2N2O2S
MW 252.29
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.14

Literature References

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

Data from ChEMBL 36 via Core Engine