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Compound Detail

CHEMBL3931823

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CCCCCCCCNC(=S)N1CC[C@@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3931823
Phase Preclinical
Structure Type MOL
InChI Key VPTZLDMPPSATRC-MGPQQGTHSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
1.01
ALogP
4
HBA
4
HBD
76.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H30N2O3S
MW 318.48
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.55

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
26361824 10.1016/j.ejmech.2015.08.038 Unchecked 15
26361824 10.1016/j.ejmech.2015.08.038 Lysosomal acid glucosylceramidase 8
26361824 10.1016/j.ejmech.2015.08.038 Beta-galactosidase 2
26361824 10.1016/j.ejmech.2015.08.038 Alpha-galactosidase 1
26361824 10.1016/j.ejmech.2015.08.038 Alpha-mannosidase 1
26361824 10.1016/j.ejmech.2015.08.038 Lysosomal alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine