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Compound Detail

CHEMBL3933402

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CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3933402
Phase Preclinical
Structure Type MOL
InChI Key OGAPJXHWULCOJW-XUWVNRHRSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
0.12
ALogP
5
HBA
5
HBD
105.1
PSA (Ų)
0.29
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 C17H33N3O4S
MW 375.54
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.27

Activity Summary

Ki 2 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26564401 10.1016/j.ejmech.2015.10.038 Unchecked 12
26564401 10.1016/j.ejmech.2015.10.038 Alpha-mannosidase 1
26564401 10.1016/j.ejmech.2015.10.038 Uncharacterized protein 1
26564401 10.1016/j.ejmech.2015.10.038 Alpha-galactosidase 1
26564401 10.1016/j.ejmech.2015.10.038 Beta-hexosaminidase subunit alpha 1

Data from ChEMBL 36 via Core Engine