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Compound Detail

CHEMBL396702

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O[C@@H]1[C@@H](O)CN[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396702
Phase Preclinical
Structure Type MOL
InChI Key FNRDSSFSPPAIRA-PZGQECOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

119.1
MW (Da)
-2.37
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H9NO3
MW 119.12
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.90

Literature References

PubMed DOI Target Context # Activities
17434740 10.1016/j.bmc.2007.03.073 Unchecked 6
17434740 10.1016/j.bmc.2007.03.073 Glucoamylase, intracellular sporulation-specific 1

Data from ChEMBL 36 via Core Engine