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Compound Detail

CHEMBL4574176

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O=C(O)CC(CCc1ccccc1)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL4574176
Phase Preclinical
Structure Type MOL
InChI Key HRYIDVZLDQBLFF-RNQKKCGZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
-0.72
ALogP
7
HBA
5
HBD
136.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H24O8
MW 356.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.66

Activity Summary

IC50 2 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Synaptojanin-2
CHEMBL4523129
IC50 5.73 5.73 1870.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine