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Compound Detail

CHEMBL222345

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CN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@@]14O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222345
Phase Preclinical
Structure Type MOL
InChI Key IFVRBXXBLQUPAA-FIICPOHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
-2.17
ALogP
11
HBA
4
HBD
160.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO10
MW 453.44
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.84

Literature References

PubMed DOI Target Context # Activities
17352465 10.1021/jm070003n Glycine receptor subunit alpha-1 2
17352465 10.1021/jm070003n Glycine receptor subunit alpha-2 1

Data from ChEMBL 36 via Core Engine