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Compound Detail

CHEMBL5992052

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O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CC(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5992052
Phase Preclinical
Structure Type MOL
InChI Key QAWQTKDITYMSEA-ATRFCDNQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
0.12
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15F2NO2
MW 207.22
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.89

Activity Summary

IC50 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal acid glucosylceramidase
CHEMBL2179
 IC50 7.25 7.25 56.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysosomal acid glucosylceramidase IC50 = 56.0 nM 7.25 Assay for Determination of Ki Values for Inhibition of GCase Activity: Various c... -

Data from ChEMBL 36 via Core Engine