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Compound Detail

CHEMBL5088994

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C[C@]1(O)CN2C[C@H](O)[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL5088994
Phase Preclinical
Structure Type MOL
InChI Key XWLSKUDERJALSC-WEHQQBAWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
-3.12
ALogP
6
HBA
5
HBD
104.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H17NO5
MW 219.24
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.86

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 Inhibition of Glycosidase (unknown origin) 35072486

Literature References

PubMed DOI Target Context # Activities
35072486 10.1021/acs.jmedchem.1c01673 Unchecked 1

Data from ChEMBL 36 via Core Engine