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Compound Detail

CHEMBL4778683

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CCCc1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778683
Phase Preclinical
Structure Type MOL
InChI Key NCDYRVHMNRRUOD-AEJSXWLSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
-1.08
ALogP
6
HBA
3
HBD
83.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H18N4O2
MW 226.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32146376 10.1016/j.ejmech.2020.112173 Lysosomal acid glucosylceramidase 1
32146376 10.1016/j.ejmech.2020.112173 Alpha-galactosidase A 1

Data from ChEMBL 36 via Core Engine