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Compound Detail

CHEMBL95018

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O=C1NC(=O)[C@]2(N1)OC[C@@H](O)[C@H](O)C2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95018
Phase Preclinical
Structure Type MOL
InChI Key PDZNTHQHVRXWAP-VTUGFABCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
-3.36
ALogP
6
HBA
5
HBD
128.1
PSA (Ų)
0.27
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 C7H10N2O6
MW 218.16
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.59

Literature References

PubMed DOI Target Context # Activities
11495595 10.1021/jm010892t Glycogen phosphorylase, brain form 1

Data from ChEMBL 36 via Core Engine