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Compound Detail

CHEMBL4846584

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CCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846584
Phase Preclinical
Structure Type MOL
InChI Key WVMDBISTNBNDSL-WWYGBNOYSA-N
Parent Compound CHEMBL5027968
Active Moiety CHEMBL5027968
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
-0.63
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H26ClNO4
MW 283.80
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.55

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
34340042 10.1016/j.ejmech.2021.113716 Unchecked 18
34340042 10.1016/j.ejmech.2021.113716 Sucrase-isomaltase, intestinal 3
34340042 10.1016/j.ejmech.2021.113716 Alpha-galactosidase 2
34340042 10.1016/j.ejmech.2021.113716 Tissue alpha-L-fucosidase 2
34340042 10.1016/j.ejmech.2021.113716 Beta-glucuronidase 2
34340042 10.1016/j.ejmech.2021.113716 Alpha-mannosidase 1

Data from ChEMBL 36 via Core Engine