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Compound Detail

CHEMBL3961105

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

Basic Information

ChEMBL ID CHEMBL3961105
Phase Preclinical
Structure Type MOL
InChI Key XNRSYFIJRFLOFG-XUXIUFHCSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
-0.02
ALogP
5
HBA
5
HBD
96.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H30N2O4S
MW 334.48
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.34

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