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Compound Detail

CHEMBL5561451

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O=S(=O)(NCC1CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561451
Phase Preclinical
Structure Type MOL
InChI Key ZEEQKMBWAJJCNO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
1.37
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13NO2S
MW 211.29
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.60

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
38932616 10.1021/acs.jmedchem.4c00702 Lysosomal acid glucosylceramidase 1

Data from ChEMBL 36 via Core Engine