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Compound Detail

CHEMBL3972215

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CCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3972215
Phase Preclinical
Structure Type MOL
InChI Key NEIONQHZHOJLJS-XKNYDFJKSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
-1.58
ALogP
5
HBA
5
HBD
96.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22N2O4S
MW 278.37
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.24

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
27789075 10.1016/j.bmc.2016.10.015 Unchecked 8
27789075 10.1016/j.bmc.2016.10.015 Beta-galactosidase 1
27789075 10.1016/j.bmc.2016.10.015 Tissue alpha-L-fucosidase 1
27789075 10.1016/j.bmc.2016.10.015 Uncharacterized protein 1

Data from ChEMBL 36 via Core Engine