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Compound Detail

CHEMBL5555937

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CN(C)c1cccc([C@@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555937
Phase Preclinical
Structure Type MOL
InChI Key CJDJNRBBYZQLNE-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.35
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21F2N3O2S
MW 369.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

Kd 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysosomal acid glucosylceramidase
CHEMBL2179
 Kd 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysosomal acid glucosylceramidase Kd = 1100.0 nM 5.96 Binding affinity to human Avi/10-his tagged GCase (40 to 536 residues) expressed... 38932616

Literature References

PubMed DOI Target Context # Activities
38932616 10.1021/acs.jmedchem.4c00702 Lysosomal acid glucosylceramidase 1

Data from ChEMBL 36 via Core Engine